N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C14H16N8 — CID 167992772

IUPACN-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESc1ccc(Cn2nnnc2NC2CCc3ncnn3C2)cc1
InChIInChI=1S/C14H16N8/c1-2-4-11(5-3-1)8-22-14(18-19-20-22)17-12-6-7-13-15-10-16-21(13)9-12/h1-5,10,12H,6-9H2,(H,17,18,20)
InChIKeyVWZQWYKAIMZLPD-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.74
Rot. Bonds4

About N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 167992772) has the molecular formula C14H16N8 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID167992772
Molecular FormulaC14H16N8
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESc1ccc(Cn2nnnc2NC2CCc3ncnn3C2)cc1
InChIInChI=1S/C14H16N8/c1-2-4-11(5-3-1)8-22-14(18-19-20-22)17-12-6-7-13-15-10-16-21(13)9-12/h1-5,10,12H,6-9H2,(H,17,18,20)
InChIKeyVWZQWYKAIMZLPD-UHFFFAOYSA-N
XLogP0.74
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 167992772) is N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is c1ccc(Cn2nnnc2NC2CCc3ncnn3C2)cc1.
What is the InChIKey of N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is VWZQWYKAIMZLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8/c1-2-4-11(5-3-1)8-22-14(18-19-20-22)17-12-6-7-13-15-10-16-21(13)9-12/h1-5,10,12H,6-9H2,(H,17,18,20).
What are the key properties of N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 296.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 167992772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).