N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

C11H16N4O — CID 60983195

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CC2CCC1C2
InChIInChI=1S/C11H16N4O/c16-11(12-5-10-13-6-14-15-10)9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,12,16)(H,13,14,15)
InChIKeyVVKACHRDUSYFIN-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.86
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 60983195) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID60983195
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CC2CCC1C2
InChIInChI=1S/C11H16N4O/c16-11(12-5-10-13-6-14-15-10)9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,12,16)(H,13,14,15)
InChIKeyVVKACHRDUSYFIN-UHFFFAOYSA-N
XLogP0.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 53557438
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 113252233
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]ethanone
CID 126834270
cis-(1R,3S)-1,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 137995501
N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78977006
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79001352
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79001371
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79020004
N-(1H-1,2,4-triazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932794
4,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 81932812
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103716261
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103741594

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 60983195) is N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1ncn[nH]1)C1CC2CCC1C2.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VVKACHRDUSYFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(12-5-10-13-6-14-15-10)9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,12,16)(H,13,14,15).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 60983195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).