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

C19H28N4O2 — CID 126835902

IUPAC2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)CC(NC(C)C(C)OCc1ccccc1)CC2
InChIInChI=1S/C19H28N4O2/c1-14(15(2)25-12-16-7-5-4-6-8-16)20-17-9-10-19-21-18(13-24-3)22-23(19)11-17/h4-8,14-15,17,20H,9-13H2,1-3H3
InChIKeyJTMXKRPAKZPRDZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.32
Rot. Bonds8

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

2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 126835902) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID126835902
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)CC(NC(C)C(C)OCc1ccccc1)CC2
InChIInChI=1S/C19H28N4O2/c1-14(15(2)25-12-16-7-5-4-6-8-16)20-17-9-10-19-21-18(13-24-3)22-23(19)11-17/h4-8,14-15,17,20H,9-13H2,1-3H3
InChIKeyJTMXKRPAKZPRDZ-UHFFFAOYSA-N
XLogP2.32
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-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-(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-[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
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
CID 122054319
2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119135625
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine
CID 133369039
tert-butyl N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate
CID 102559562
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 127457813
(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
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(3-methylimidazol-4-yl)acetamide
CID 154794226
N-(3-methoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115889496
6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine
CID 133494527
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

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 126835902) is 2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COCc1nc2n(n1)CC(NC(C)C(C)OCc1ccccc1)CC2.
What is the InChIKey of 2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is JTMXKRPAKZPRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(15(2)25-12-16-7-5-4-6-8-16)20-17-9-10-19-21-18(13-24-3)22-23(19)11-17/h4-8,14-15,17,20H,9-13H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 344.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 126835902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).