1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine

C6H10N4 — CID 130987503

IUPAC1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2ncn[nH]2)CC1
InChIInChI=1S/C6H10N4/c7-6(1-2-6)3-5-8-4-9-10-5/h4H,1-3,7H2,(H,8,9,10)
InChIKeyUMTWVQDSQGBYHP-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.16
Rot. Bonds2

About 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine

1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine (PubChem CID 130987503) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine
PubChem CID130987503
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2ncn[nH]2)CC1
InChIInChI=1S/C6H10N4/c7-6(1-2-6)3-5-8-4-9-10-5/h4H,1-3,7H2,(H,8,9,10)
InChIKeyUMTWVQDSQGBYHP-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine (CID 130987503) is 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine is NC1(Cc2ncn[nH]2)CC1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine?
The InChIKey is UMTWVQDSQGBYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-6(1-2-6)3-5-8-4-9-10-5/h4H,1-3,7H2,(H,8,9,10).
What are the key properties of 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine?
1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine has a molecular weight of 138.17 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 130987503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).