[3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine

C15H19N9 — CID 155966790

IUPAC[3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine
SMILESNCc1nc(C2CCN(c3nnnn3-c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C15H19N9/c16-10-13-17-14(19-18-13)11-6-8-23(9-7-11)15-20-21-22-24(15)12-4-2-1-3-5-12/h1-5,11H,6-10,16H2,(H,17,18,19)
InChIKeyPNXSAKRDPVRXQO-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.62
Rot. Bonds4

About [3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine

[3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine (PubChem CID 155966790) has the molecular formula C15H19N9 and a molecular weight of 325.38 g/mol. Its IUPAC name is [3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine
PubChem CID155966790
Molecular FormulaC15H19N9
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name[3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine
SMILESNCc1nc(C2CCN(c3nnnn3-c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C15H19N9/c16-10-13-17-14(19-18-13)11-6-8-23(9-7-11)15-20-21-22-24(15)12-4-2-1-3-5-12/h1-5,11H,6-10,16H2,(H,17,18,19)
InChIKeyPNXSAKRDPVRXQO-UHFFFAOYSA-N
XLogP0.62
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine?
The IUPAC name of [3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine (CID 155966790) is [3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine.
What is the SMILES notation for [3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine?
The canonical SMILES for [3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine is NCc1nc(C2CCN(c3nnnn3-c3ccccc3)CC2)n[nH]1.
What is the InChIKey of [3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine?
The InChIKey is PNXSAKRDPVRXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N9/c16-10-13-17-14(19-18-13)11-6-8-23(9-7-11)15-20-21-22-24(15)12-4-2-1-3-5-12/h1-5,11H,6-10,16H2,(H,17,18,19).
What are the key properties of [3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine?
[3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine has a molecular weight of 325.38 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-yl]methanamine is sourced from PubChem (CID 155966790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).