5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine

C7H13N5 — CID 104605550

IUPAC5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C(N)C2CC2)nc1N
InChIInChI=1S/C7H13N5/c1-12-7(9)10-6(11-12)5(8)4-2-3-4/h4-5H,2-3,8H2,1H3,(H2,9,10,11)
InChIKeyVOCUEQBQIZVTQP-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.19
Rot. Bonds2

About 5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine

5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605550) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605550
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C(N)C2CC2)nc1N
InChIInChI=1S/C7H13N5/c1-12-7(9)10-6(11-12)5(8)4-2-3-4/h4-5H,2-3,8H2,1H3,(H2,9,10,11)
InChIKeyVOCUEQBQIZVTQP-UHFFFAOYSA-N
XLogP-0.19
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine (CID 104605550) is 5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine is Cn1nc(C(N)C2CC2)nc1N.
What is the InChIKey of 5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is VOCUEQBQIZVTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-12-7(9)10-6(11-12)5(8)4-2-3-4/h4-5H,2-3,8H2,1H3,(H2,9,10,11).
What are the key properties of 5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 167.22 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).