N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide

C8H8N6O — CID 106936756

IUPACN-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide
SMILESCN(C(=O)c1nn[nH]n1)c1ccncc1
InChIInChI=1S/C8H8N6O/c1-14(6-2-4-9-5-3-6)8(15)7-10-12-13-11-7/h2-5H,1H3,(H,10,11,12,13)
InChIKeyXZOIHIMLGPAERP-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.13
Rot. Bonds2

About N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide

N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide (PubChem CID 106936756) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide
PubChem CID106936756
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC NameN-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide
SMILESCN(C(=O)c1nn[nH]n1)c1ccncc1
InChIInChI=1S/C8H8N6O/c1-14(6-2-4-9-5-3-6)8(15)7-10-12-13-11-7/h2-5H,1H3,(H,10,11,12,13)
InChIKeyXZOIHIMLGPAERP-UHFFFAOYSA-N
XLogP-0.13
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide?
The IUPAC name of N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide (CID 106936756) is N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide is CN(C(=O)c1nn[nH]n1)c1ccncc1.
What is the InChIKey of N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide?
The InChIKey is XZOIHIMLGPAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c1-14(6-2-4-9-5-3-6)8(15)7-10-12-13-11-7/h2-5H,1H3,(H,10,11,12,13).
What are the key properties of N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide?
N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide has a molecular weight of 204.19 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 106936756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).