N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide

C12H13N7O — CID 92553486

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cccn3nnnc23)n[nH]1
InChIInChI=1S/C12H13N7O/c1-8-6-9(14-13-8)7-18(2)12(20)10-4-3-5-19-11(10)15-16-17-19/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyMLDRUPRSIPKPOM-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.43
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 92553486) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide
PubChem CID92553486
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cccn3nnnc23)n[nH]1
InChIInChI=1S/C12H13N7O/c1-8-6-9(14-13-8)7-18(2)12(20)10-4-3-5-19-11(10)15-16-17-19/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyMLDRUPRSIPKPOM-UHFFFAOYSA-N
XLogP0.43
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide (CID 92553486) is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide is Cc1cc(CN(C)C(=O)c2cccn3nnnc23)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is MLDRUPRSIPKPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c1-8-6-9(14-13-8)7-18(2)12(20)10-4-3-5-19-11(10)15-16-17-19/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide?
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 92553486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).