2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine

C6H13N5 — CID 115460281

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
SMILESCNCCn1cc(CN)nn1
InChIInChI=1S/C6H13N5/c1-8-2-3-11-5-6(4-7)9-10-11/h5,8H,2-4,7H2,1H3
InChIKeyZDWBHQFGKISIHE-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.04
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine

2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine (PubChem CID 115460281) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
PubChem CID115460281
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
SMILESCNCCn1cc(CN)nn1
InChIInChI=1S/C6H13N5/c1-8-2-3-11-5-6(4-7)9-10-11/h5,8H,2-4,7H2,1H3
InChIKeyZDWBHQFGKISIHE-UHFFFAOYSA-N
XLogP-1.04
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
CID 166768800
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine
CID 115460313
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide
CID 62053982
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 113314274
N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine
CID 66338826
[1-[[3,5-bis[[4-(aminomethyl)triazol-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]triazol-4-yl]methanamine
CID 172508919
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
CID 62456677

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine (CID 115460281) is 2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine is CNCCn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine?
The InChIKey is ZDWBHQFGKISIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-8-2-3-11-5-6(4-7)9-10-11/h5,8H,2-4,7H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine?
2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine has a molecular weight of 155.20 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine is sourced from PubChem (CID 115460281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).