N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine

C15H14N8 — CID 56789625

IUPACN-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine
SMILESCN(Cc1nnc2ccccn12)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H14N8/c1-21(11-14-17-16-13-9-5-6-10-22(13)14)15-18-19-20-23(15)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyBKZFMXXVKIFLRG-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.34
Rot. Bonds4

About N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine

N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine (PubChem CID 56789625) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine
PubChem CID56789625
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC NameN-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine
SMILESCN(Cc1nnc2ccccn12)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H14N8/c1-21(11-14-17-16-13-9-5-6-10-22(13)14)15-18-19-20-23(15)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyBKZFMXXVKIFLRG-UHFFFAOYSA-N
XLogP1.34
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 131949894
N,2,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-4-amine
CID 126805477
(1S)-N-methyl-1-(1-phenyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 97226690
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
CID 63392081
2-methyl-3-[methyl-(1-phenyltetrazol-5-yl)amino]propanimidamide
CID 54990530
2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
CID 9195767

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine?
The IUPAC name of N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine (CID 56789625) is N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine?
The canonical SMILES for N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine is CN(Cc1nnc2ccccn12)c1nnnn1-c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine?
The InChIKey is BKZFMXXVKIFLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8/c1-21(11-14-17-16-13-9-5-6-10-22(13)14)15-18-19-20-23(15)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine?
N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine has a molecular weight of 306.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 56789625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).