2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide

C7H8N6O — CID 175827260

IUPAC2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide
SMILESCn1cccc1-n1nnc(C(N)=O)n1
InChIInChI=1S/C7H8N6O/c1-12-4-2-3-5(12)13-10-7(6(8)14)9-11-13/h2-4H,1H3,(H2,8,14)
InChIKeySTWNLXRQIZAPAR-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.90
Rot. Bonds2

About 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide

2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide (PubChem CID 175827260) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide
PubChem CID175827260
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide
SMILESCn1cccc1-n1nnc(C(N)=O)n1
InChIInChI=1S/C7H8N6O/c1-12-4-2-3-5(12)13-10-7(6(8)14)9-11-13/h2-4H,1H3,(H2,8,14)
InChIKeySTWNLXRQIZAPAR-UHFFFAOYSA-N
XLogP-0.90
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxylate
CID 156769939
N-[3-(2-methylidenebutanoylamino)-2-nitropropyl]-2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide
CID 169026874
1-methylpyrrole-2-carboxamide;hydrochloride
CID 21428931
2-oxidotetrazole-5-carboxamide
CID 139258261
8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 18672038
N-methyl-2-phenyltetrazole-5-carboxamide
CID 71791263
methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride
CID 171212602
[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 116989463
1-methylpyrrol-2-amine;pyridine-2-carboxamide
CID 174903535
1-methylpyrazole-3-carboxamide
CID 13464586
2-fluoro-3-(1-methylpyrrol-2-yl)prop-2-enoic acid
CID 79726569
2-[(3-methyl-1,2-thiazol-5-yl)methyl]tetrazole-5-carboxamide
CID 146144229

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide (CID 175827260) is 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide is Cn1cccc1-n1nnc(C(N)=O)n1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide?
The InChIKey is STWNLXRQIZAPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c1-12-4-2-3-5(12)13-10-7(6(8)14)9-11-13/h2-4H,1H3,(H2,8,14).
What are the key properties of 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide?
2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide has a molecular weight of 192.18 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide is sourced from PubChem (CID 175827260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).