[5-(aminomethyl)-2-methyltriazol-4-yl]methanamine

C5H11N5 — CID 118390995

IUPAC[5-(aminomethyl)-2-methyltriazol-4-yl]methanamine
SMILESCn1nc(CN)c(CN)n1
InChIInChI=1S/C5H11N5/c1-10-8-4(2-6)5(3-7)9-10/h2-3,6-7H2,1H3
InChIKeyINAXFDBLZDWBJC-UHFFFAOYSA-N
MW141.18 g/mol
LogP-1.27
Rot. Bonds2

About [5-(aminomethyl)-2-methyltriazol-4-yl]methanamine

[5-(aminomethyl)-2-methyltriazol-4-yl]methanamine (PubChem CID 118390995) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is [5-(aminomethyl)-2-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(aminomethyl)-2-methyltriazol-4-yl]methanamine
PubChem CID118390995
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name[5-(aminomethyl)-2-methyltriazol-4-yl]methanamine
SMILESCn1nc(CN)c(CN)n1
InChIInChI=1S/C5H11N5/c1-10-8-4(2-6)5(3-7)9-10/h2-3,6-7H2,1H3
InChIKeyINAXFDBLZDWBJC-UHFFFAOYSA-N
XLogP-1.27
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-methyltriazol-4-yl]methanamine?
The IUPAC name of [5-(aminomethyl)-2-methyltriazol-4-yl]methanamine (CID 118390995) is [5-(aminomethyl)-2-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(aminomethyl)-2-methyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(aminomethyl)-2-methyltriazol-4-yl]methanamine is Cn1nc(CN)c(CN)n1.
What is the InChIKey of [5-(aminomethyl)-2-methyltriazol-4-yl]methanamine?
The InChIKey is INAXFDBLZDWBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-10-8-4(2-6)5(3-7)9-10/h2-3,6-7H2,1H3.
What are the key properties of [5-(aminomethyl)-2-methyltriazol-4-yl]methanamine?
[5-(aminomethyl)-2-methyltriazol-4-yl]methanamine has a molecular weight of 141.18 g/mol, XLogP of -1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 118390995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).