N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C18H30N4O — CID 126829632

IUPACN-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)CC(NC(C)C1CCC(C)=C(C)C1)CC2
InChIInChI=1S/C18H30N4O/c1-12-5-6-15(9-13(12)2)14(3)19-16-7-8-18-20-17(11-23-4)21-22(18)10-16/h14-16,19H,5-11H2,1-4H3
InChIKeyYNILFPXABRAMMU-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.85
Rot. Bonds5

About N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 126829632) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID126829632
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)CC(NC(C)C1CCC(C)=C(C)C1)CC2
InChIInChI=1S/C18H30N4O/c1-12-5-6-15(9-13(12)2)14(3)19-16-7-8-18-20-17(11-23-4)21-22(18)10-16/h14-16,19H,5-11H2,1-4H3
InChIKeyYNILFPXABRAMMU-UHFFFAOYSA-N
XLogP2.85
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 126835902
tert-butyl N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate
CID 102559562
2-(methoxymethyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 126815145
N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide
CID 124614996
(6R)-N-[(3S,5R)-5-tert-butylthiolan-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 129345354
N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
CID 124615685
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine
CID 133369039
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 126818727
(6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 97223951
(2R,4aS,8aS)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 124777115
(2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 97243984

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 126829632) is N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COCc1nc2n(n1)CC(NC(C)C1CCC(C)=C(C)C1)CC2.
What is the InChIKey of N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is YNILFPXABRAMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-12-5-6-15(9-13(12)2)14(3)19-16-7-8-18-20-17(11-23-4)21-22(18)10-16/h14-16,19H,5-11H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 318.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylcyclohex-3-en-1-yl)ethyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 126829632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).