4-(cyclopropylmethyl)-1,2,4-triazol-3-amine

C6H10N4 — CID 129360658

IUPAC4-(cyclopropylmethyl)-1,2,4-triazol-3-amine
SMILESNc1nncn1CC1CC1
InChIInChI=1S/C6H10N4/c7-6-9-8-4-10(6)3-5-1-2-5/h4-5H,1-3H2,(H2,7,9)
InChIKeyPAGAJWXZDNFGEV-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.27
Rot. Bonds2

About 4-(cyclopropylmethyl)-1,2,4-triazol-3-amine

4-(cyclopropylmethyl)-1,2,4-triazol-3-amine (PubChem CID 129360658) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1,2,4-triazol-3-amine
PubChem CID129360658
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name4-(cyclopropylmethyl)-1,2,4-triazol-3-amine
SMILESNc1nncn1CC1CC1
InChIInChI=1S/C6H10N4/c7-6-9-8-4-10(6)3-5-1-2-5/h4-5H,1-3H2,(H2,7,9)
InChIKeyPAGAJWXZDNFGEV-UHFFFAOYSA-N
XLogP0.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-(cyclopropylmethyl)-1,2,4-triazol-3-amine (CID 129360658) is 4-(cyclopropylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(cyclopropylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(cyclopropylmethyl)-1,2,4-triazol-3-amine is Nc1nncn1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is PAGAJWXZDNFGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-6-9-8-4-10(6)3-5-1-2-5/h4-5H,1-3H2,(H2,7,9).
What are the key properties of 4-(cyclopropylmethyl)-1,2,4-triazol-3-amine?
4-(cyclopropylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 138.17 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 129360658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).