5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C17H15N7O — CID 3240933

IUPAC5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)n2nnnc2N1
InChIInChI=1S/C17H15N7O/c1-11-14(16(25)20-13-5-3-2-4-6-13)15(12-7-9-18-10-8-12)24-17(19-11)21-22-23-24/h2-10,15H,1H3,(H,20,25)(H,19,21,23)
InChIKeyYRYZMQIQIBCUFH-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.00
Rot. Bonds3

About 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3240933) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3240933
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)n2nnnc2N1
InChIInChI=1S/C17H15N7O/c1-11-14(16(25)20-13-5-3-2-4-6-13)15(12-7-9-18-10-8-12)24-17(19-11)21-22-23-24/h2-10,15H,1H3,(H,20,25)(H,19,21,23)
InChIKeyYRYZMQIQIBCUFH-UHFFFAOYSA-N
XLogP2.00
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3240933) is 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)n2nnnc2N1.
What is the InChIKey of 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YRYZMQIQIBCUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-11-14(16(25)20-13-5-3-2-4-6-13)15(12-7-9-18-10-8-12)24-17(19-11)21-22-23-24/h2-10,15H,1H3,(H,20,25)(H,19,21,23).
What are the key properties of 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3240933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).