[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine

C13H15N7 — CID 28965388

IUPAC[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(-n2nnc(-c3ccccc3)n2)c1CN
InChIInChI=1S/C13H15N7/c1-9-11(8-14)13(19(2)16-9)20-17-12(15-18-20)10-6-4-3-5-7-10/h3-7H,8,14H2,1-2H3
InChIKeyWYRYGMYUWICSDT-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.83
Rot. Bonds3

About [1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine

[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine (PubChem CID 28965388) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is [1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine
PubChem CID28965388
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(-n2nnc(-c3ccccc3)n2)c1CN
InChIInChI=1S/C13H15N7/c1-9-11(8-14)13(19(2)16-9)20-17-12(15-18-20)10-6-4-3-5-7-10/h3-7H,8,14H2,1-2H3
InChIKeyWYRYGMYUWICSDT-UHFFFAOYSA-N
XLogP0.83
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine
CID 43282042
[3-methyl-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 62125454
[4-methyl-3-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 105406132
[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 63078222
[5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 43122264
[2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine
CID 62293246
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
2-(2-ethylphenyl)-5-phenyltetrazole
CID 23606527
2-(2,3-dimethylphenyl)-5-phenyltetrazole
CID 54119212
(5-benzylsulfanyl-1,3-dimethylpyrazol-4-yl)methanamine
CID 63758578
4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole
CID 172790149
4-ethyl-1,3-dimethyl-5-phenylpyrazole
CID 70791504

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine?
The IUPAC name of [1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine (CID 28965388) is [1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine is Cc1nn(C)c(-n2nnc(-c3ccccc3)n2)c1CN.
What is the InChIKey of [1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine?
The InChIKey is WYRYGMYUWICSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-9-11(8-14)13(19(2)16-9)20-17-12(15-18-20)10-6-4-3-5-7-10/h3-7H,8,14H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine?
[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine has a molecular weight of 269.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 28965388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).