(5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine

C6H10N4 — CID 155745665

IUPAC(5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine
SMILESC=C(C)c1n[nH]nc1CN
InChIInChI=1S/C6H10N4/c1-4(2)6-5(3-7)8-10-9-6/h1,3,7H2,2H3,(H,8,9,10)
InChIKeyLOBOQYCKFNRAQZ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.30
Rot. Bonds2

About (5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine

(5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine (PubChem CID 155745665) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is (5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine
PubChem CID155745665
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name(5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine
SMILESC=C(C)c1n[nH]nc1CN
InChIInChI=1S/C6H10N4/c1-4(2)6-5(3-7)8-10-9-6/h1,3,7H2,2H3,(H,8,9,10)
InChIKeyLOBOQYCKFNRAQZ-UHFFFAOYSA-N
XLogP0.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine?
The IUPAC name of (5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine (CID 155745665) is (5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine.
What is the SMILES notation for (5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine?
The canonical SMILES for (5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine is C=C(C)c1n[nH]nc1CN.
What is the InChIKey of (5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine?
The InChIKey is LOBOQYCKFNRAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-4(2)6-5(3-7)8-10-9-6/h1,3,7H2,2H3,(H,8,9,10).
What are the key properties of (5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine?
(5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine has a molecular weight of 138.17 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-prop-1-en-2-yl-2H-triazol-4-yl)methanamine is sourced from PubChem (CID 155745665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).