(3-methyltriazol-4-yl)methanamine

C4H8N4 — CID 55262944

IUPAC(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1CN
InChIInChI=1S/C4H8N4/c1-8-4(2-5)3-6-7-8/h3H,2,5H2,1H3
InChIKeyPVWKPXNAMNJOFY-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.73
Rot. Bonds1

About (3-methyltriazol-4-yl)methanamine

(3-methyltriazol-4-yl)methanamine (PubChem CID 55262944) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)methanamine
PubChem CID55262944
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1CN
InChIInChI=1S/C4H8N4/c1-8-4(2-5)3-6-7-8/h3H,2,5H2,1H3
InChIKeyPVWKPXNAMNJOFY-UHFFFAOYSA-N
XLogP-0.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)methanamine?
The IUPAC name of (3-methyltriazol-4-yl)methanamine (CID 55262944) is (3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (3-methyltriazol-4-yl)methanamine is Cn1nncc1CN.
What is the InChIKey of (3-methyltriazol-4-yl)methanamine?
The InChIKey is PVWKPXNAMNJOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-8-4(2-5)3-6-7-8/h3H,2,5H2,1H3.
What are the key properties of (3-methyltriazol-4-yl)methanamine?
(3-methyltriazol-4-yl)methanamine has a molecular weight of 112.14 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 55262944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).