1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine

C7H13N5 — CID 102794118

IUPAC1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine
SMILESNC1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C7H13N5/c8-6-1-3-12(4-2-6)7-9-5-10-11-7/h5-6H,1-4,8H2,(H,9,10,11)
InChIKeyNZVGIQFDBODKKJ-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.27
Rot. Bonds1

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

1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine (PubChem CID 102794118) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine
PubChem CID102794118
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine
SMILESNC1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C7H13N5/c8-6-1-3-12(4-2-6)7-9-5-10-11-7/h5-6H,1-4,8H2,(H,9,10,11)
InChIKeyNZVGIQFDBODKKJ-UHFFFAOYSA-N
XLogP-0.27
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine (CID 102794118) is 1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine is NC1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine?
The InChIKey is NZVGIQFDBODKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c8-6-1-3-12(4-2-6)7-9-5-10-11-7/h5-6H,1-4,8H2,(H,9,10,11).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine?
1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine has a molecular weight of 167.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 102794118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).