N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine

C13H13N7 — CID 60967739

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCc1nccc(CNc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C13H13N7/c1-10-14-8-7-11(16-10)9-15-13-17-18-19-20(13)12-5-3-2-4-6-12/h2-8H,9H2,1H3,(H,15,17,19)
InChIKeyBHNWRCATBXDWLW-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.37
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine

N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 60967739) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine
PubChem CID60967739
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCc1nccc(CNc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C13H13N7/c1-10-14-8-7-11(16-10)9-15-13-17-18-19-20(13)12-5-3-2-4-6-12/h2-8H,9H2,1H3,(H,15,17,19)
InChIKeyBHNWRCATBXDWLW-UHFFFAOYSA-N
XLogP1.37
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine (CID 60967739) is N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine is Cc1nccc(CNc2nnnn2-c2ccccc2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is BHNWRCATBXDWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-10-14-8-7-11(16-10)9-15-13-17-18-19-20(13)12-5-3-2-4-6-12/h2-8H,9H2,1H3,(H,15,17,19).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine?
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 267.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 60967739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).