N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide

C11H12N6O2 — CID 20980443

IUPACN-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn(NC(N)=O)nn2)cc1
InChIInChI=1S/C11H12N6O2/c1-7(18)13-9-4-2-8(3-5-9)10-6-17(16-14-10)15-11(12)19/h2-6H,1H3,(H,13,18)(H3,12,15,19)
InChIKeyZOHMCUCPXOSGBD-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.53
Rot. Bonds3

About N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide

N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide (PubChem CID 20980443) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide
PubChem CID20980443
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC NameN-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn(NC(N)=O)nn2)cc1
InChIInChI=1S/C11H12N6O2/c1-7(18)13-9-4-2-8(3-5-9)10-6-17(16-14-10)15-11(12)19/h2-6H,1H3,(H,13,18)(H3,12,15,19)
InChIKeyZOHMCUCPXOSGBD-UHFFFAOYSA-N
XLogP0.53
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylimino-4,6-dioxo-N-[4-(2H-triazol-4-yl)phenyl]-1,3-diazinane-5-carboxamide
CID 162369487
2-methoxy-4,6-dioxo-N-[4-(2H-triazol-4-yl)phenyl]-1H-pyrimidine-5-carboxamide
CID 162679999
2-methylsulfanyl-4,6-dioxo-N-[4-(2H-triazol-4-yl)phenyl]-1H-pyrimidine-5-carboxamide
CID 162680008
3-[4-(3-Acetamidophenyl)triazol-2-yl]propanoic acid
CID 12461606
6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide
CID 38779391
N-(4-{1-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1H-1,2,3-triazol-4-yl}phenyl)acetamide
CID 70783391
4-amino-2,6-dioxo-N-[4-(2H-triazol-4-yl)phenyl]-1,3-diazinane-5-carboxamide
CID 162680002
3,4-dioxo-2-[4-(2H-triazol-4-yl)phenyl]-3a,5-dihydropyrazolo[3,4-d]pyrimidin-6-olate
CID 162680019
N-(4-(1H-pyrazol-3-yl)phenyl)pivalamide
CID 45497318
[4-(4-Methylphenyl)triazol-1-yl]urea
CID 12283058
2-fluoro-2-methyl-N-[3-(2H-triazol-4-yl)phenyl]propanamide
CID 162443217
N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 175305670

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide (CID 20980443) is N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cn(NC(N)=O)nn2)cc1.
What is the InChIKey of N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide?
The InChIKey is ZOHMCUCPXOSGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-7(18)13-9-4-2-8(3-5-9)10-6-17(16-14-10)15-11(12)19/h2-6H,1H3,(H,13,18)(H3,12,15,19).
What are the key properties of N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide?
N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide has a molecular weight of 260.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 20980443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).