N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine

C7H15N5 — CID 130598801

IUPACN,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1cn(C)nn1
InChIInChI=1S/C7H15N5/c1-11(2)7(4-8)6-5-12(3)10-9-6/h5,7H,4,8H2,1-3H3
InChIKeyOYNNXLURKFVWOO-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.62
Rot. Bonds3

About N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine

N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine (PubChem CID 130598801) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine
PubChem CID130598801
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC NameN,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1cn(C)nn1
InChIInChI=1S/C7H15N5/c1-11(2)7(4-8)6-5-12(3)10-9-6/h5,7H,4,8H2,1-3H3
InChIKeyOYNNXLURKFVWOO-UHFFFAOYSA-N
XLogP-0.62
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-2-(1-methyltriazol-4-yl)ethanamine
CID 130599175
N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine
CID 131029070
(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
CID 96735449
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine
CID 82280376
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
CID 148834099
tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate
CID 130598570
(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide
CID 130598575
2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine
CID 130603691
N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118363
cyclopropyl-(1-methyltriazol-4-yl)methanamine
CID 130521601

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine (CID 130598801) is N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine is CN(C)C(CN)c1cn(C)nn1.
What is the InChIKey of N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine?
The InChIKey is OYNNXLURKFVWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-11(2)7(4-8)6-5-12(3)10-9-6/h5,7H,4,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine has a molecular weight of 169.23 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 130598801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).