5-piperidin-4-yl-1H-1,2,4-triazol-3-amine

C7H13N5 — CID 61320156

IUPAC5-piperidin-4-yl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCNCC2)n1
InChIInChI=1S/C7H13N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H3,8,10,11,12)
InChIKeyCZJWKONMXKVEBV-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.15
Rot. Bonds1

About 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine

5-piperidin-4-yl-1H-1,2,4-triazol-3-amine (PubChem CID 61320156) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-piperidin-4-yl-1H-1,2,4-triazol-3-amine
PubChem CID61320156
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name5-piperidin-4-yl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCNCC2)n1
InChIInChI=1S/C7H13N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H3,8,10,11,12)
InChIKeyCZJWKONMXKVEBV-UHFFFAOYSA-N
XLogP-0.15
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine (CID 61320156) is 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CCNCC2)n1.
What is the InChIKey of 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine?
The InChIKey is CZJWKONMXKVEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H3,8,10,11,12).
What are the key properties of 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine?
5-piperidin-4-yl-1H-1,2,4-triazol-3-amine has a molecular weight of 167.22 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 61320156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).