N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C16H19N7 — CID 90311408

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2nnc3ccccn23)C1
InChIInChI=1S/C16H19N7/c17-12-4-3-8-22(11-12)14-6-7-18-10-13(14)19-16-21-20-15-5-1-2-9-23(15)16/h1-2,5-7,9-10,12H,3-4,8,11,17H2,(H,19,21)/t12-/m0/s1
InChIKeyXQXCEKIWYGDQJP-LBPRGKRZSA-N
MW309.38 g/mol
LogP1.80
Rot. Bonds3

About N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 90311408) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID90311408
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2nnc3ccccn23)C1
InChIInChI=1S/C16H19N7/c17-12-4-3-8-22(11-12)14-6-7-18-10-13(14)19-16-21-20-15-5-1-2-9-23(15)16/h1-2,5-7,9-10,12H,3-4,8,11,17H2,(H,19,21)/t12-/m0/s1
InChIKeyXQXCEKIWYGDQJP-LBPRGKRZSA-N
XLogP1.80
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 90311408) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is N[C@H]1CCCN(c2ccncc2Nc2nnc3ccccn23)C1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is XQXCEKIWYGDQJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N7/c17-12-4-3-8-22(11-12)14-6-7-18-10-13(14)19-16-21-20-15-5-1-2-9-23(15)16/h1-2,5-7,9-10,12H,3-4,8,11,17H2,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 309.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 90311408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).