1-(aminomethyl)triazol-4-amine

C3H7N5 — CID 22639545

IUPAC1-(aminomethyl)triazol-4-amine
SMILESNCn1cc(N)nn1
InChIInChI=1S/C3H7N5/c4-2-8-1-3(5)6-7-8/h1H,2,4-5H2
InChIKeyQMDYPCPEMAJXMH-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.22
Rot. Bonds1

About 1-(aminomethyl)triazol-4-amine

1-(aminomethyl)triazol-4-amine (PubChem CID 22639545) has the molecular formula C3H7N5 and a molecular weight of 113.12 g/mol. Its IUPAC name is 1-(aminomethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(aminomethyl)triazol-4-amine
PubChem CID22639545
Molecular FormulaC3H7N5
Molecular Weight113.12 g/mol
Exact Mass113.07
IUPAC Name1-(aminomethyl)triazol-4-amine
SMILESNCn1cc(N)nn1
InChIInChI=1S/C3H7N5/c4-2-8-1-3(5)6-7-8/h1H,2,4-5H2
InChIKeyQMDYPCPEMAJXMH-UHFFFAOYSA-N
XLogP-1.22
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoropropyl)triazol-4-amine
CID 81110158
1-(2-methylbutyl)triazol-4-amine
CID 79531086
1-(3,4-dimethylpent-3-enyl)triazol-4-amine
CID 165481462
1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine
CID 165472993
1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine
CID 165473092
1-[(1,1-dioxothietan-3-yl)methyl]triazol-4-amine
CID 165480918
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79530372
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-amine
CID 165481336
1-[(4-bromothiophen-2-yl)methyl]triazol-4-amine
CID 79542195
1-[(2-chlorothiophen-3-yl)methyl]triazol-4-amine
CID 165481331
N-[1-(aminomethyl)triazol-4-yl]acetamide
CID 129156156
1-[(4-methyloxan-4-yl)methyl]triazol-4-amine
CID 165471753

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)triazol-4-amine?
The IUPAC name of 1-(aminomethyl)triazol-4-amine (CID 22639545) is 1-(aminomethyl)triazol-4-amine.
What is the SMILES notation for 1-(aminomethyl)triazol-4-amine?
The canonical SMILES for 1-(aminomethyl)triazol-4-amine is NCn1cc(N)nn1.
What is the InChIKey of 1-(aminomethyl)triazol-4-amine?
The InChIKey is QMDYPCPEMAJXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5/c4-2-8-1-3(5)6-7-8/h1H,2,4-5H2.
What are the key properties of 1-(aminomethyl)triazol-4-amine?
1-(aminomethyl)triazol-4-amine has a molecular weight of 113.12 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)triazol-4-amine is sourced from PubChem (CID 22639545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).