2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide

C12H18N6O2 — CID 167820476

IUPAC2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide
SMILESCNC(=O)C12CCC(NC(=O)c3nnn(C)n3)(CC1)C2
InChIInChI=1S/C12H18N6O2/c1-13-10(20)11-3-5-12(7-11,6-4-11)14-9(19)8-15-17-18(2)16-8/h3-7H2,1-2H3,(H,13,20)(H,14,19)
InChIKeyZMCWYEUEZNNWBM-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.61
Rot. Bonds3

About 2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide

2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide (PubChem CID 167820476) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide
PubChem CID167820476
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide
SMILESCNC(=O)C12CCC(NC(=O)c3nnn(C)n3)(CC1)C2
InChIInChI=1S/C12H18N6O2/c1-13-10(20)11-3-5-12(7-11,6-4-11)14-9(19)8-15-17-18(2)16-8/h3-7H2,1-2H3,(H,13,20)(H,14,19)
InChIKeyZMCWYEUEZNNWBM-UHFFFAOYSA-N
XLogP-0.61
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide (CID 167820476) is 2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide is CNC(=O)C12CCC(NC(=O)c3nnn(C)n3)(CC1)C2.
What is the InChIKey of 2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide?
The InChIKey is ZMCWYEUEZNNWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-13-10(20)11-3-5-12(7-11,6-4-11)14-9(19)8-15-17-18(2)16-8/h3-7H2,1-2H3,(H,13,20)(H,14,19).
What are the key properties of 2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide?
2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide has a molecular weight of 278.32 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]tetrazole-5-carboxamide is sourced from PubChem (CID 167820476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).