cyclopropyl-(1-methyltriazol-4-yl)methanamine

C7H12N4 — CID 130521601

IUPACcyclopropyl-(1-methyltriazol-4-yl)methanamine
SMILESCn1cc(C(N)C2CC2)nn1
InChIInChI=1S/C7H12N4/c1-11-4-6(9-10-11)7(8)5-2-3-5/h4-5,7H,2-3,8H2,1H3
InChIKeyNHXYLWHZRQQMJI-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.22
Rot. Bonds2

About cyclopropyl-(1-methyltriazol-4-yl)methanamine

cyclopropyl-(1-methyltriazol-4-yl)methanamine (PubChem CID 130521601) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is cyclopropyl-(1-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(1-methyltriazol-4-yl)methanamine
PubChem CID130521601
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Namecyclopropyl-(1-methyltriazol-4-yl)methanamine
SMILESCn1cc(C(N)C2CC2)nn1
InChIInChI=1S/C7H12N4/c1-11-4-6(9-10-11)7(8)5-2-3-5/h4-5,7H,2-3,8H2,1H3
InChIKeyNHXYLWHZRQQMJI-UHFFFAOYSA-N
XLogP0.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-methyltriazol-4-yl)methanamine?
The IUPAC name of cyclopropyl-(1-methyltriazol-4-yl)methanamine (CID 130521601) is cyclopropyl-(1-methyltriazol-4-yl)methanamine.
What is the SMILES notation for cyclopropyl-(1-methyltriazol-4-yl)methanamine?
The canonical SMILES for cyclopropyl-(1-methyltriazol-4-yl)methanamine is Cn1cc(C(N)C2CC2)nn1.
What is the InChIKey of cyclopropyl-(1-methyltriazol-4-yl)methanamine?
The InChIKey is NHXYLWHZRQQMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-11-4-6(9-10-11)7(8)5-2-3-5/h4-5,7H,2-3,8H2,1H3.
What are the key properties of cyclopropyl-(1-methyltriazol-4-yl)methanamine?
cyclopropyl-(1-methyltriazol-4-yl)methanamine has a molecular weight of 152.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 130521601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).