2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C11H16N8O2 — CID 112524804

IUPAC2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(NC(=O)N(C)C)nn2)n[nH]1
InChIInChI=1S/C11H16N8O2/c1-7-4-8(15-14-7)12-10(20)6-19-5-9(16-17-19)13-11(21)18(2)3/h4-5H,6H2,1-3H3,(H,13,21)(H2,12,14,15,20)
InChIKeyNOVAZQJQMPXRDY-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.04
Rot. Bonds4

About 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 112524804) has the molecular formula C11H16N8O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID112524804
Molecular FormulaC11H16N8O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(NC(=O)N(C)C)nn2)n[nH]1
InChIInChI=1S/C11H16N8O2/c1-7-4-8(15-14-7)12-10(20)6-19-5-9(16-17-19)13-11(21)18(2)3/h4-5H,6H2,1-3H3,(H,13,21)(H2,12,14,15,20)
InChIKeyNOVAZQJQMPXRDY-UHFFFAOYSA-N
XLogP0.04
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524244
N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112525388
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide
CID 112530623
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 112530841
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522698
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
2-(4-acetamidotriazol-1-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112525274
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112520798
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 112522829
2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 112521770
2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 63819555
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112522077

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 112524804) is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cc(NC(=O)N(C)C)nn2)n[nH]1.
What is the InChIKey of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is NOVAZQJQMPXRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O2/c1-7-4-8(15-14-7)12-10(20)6-19-5-9(16-17-19)13-11(21)18(2)3/h4-5H,6H2,1-3H3,(H,13,21)(H2,12,14,15,20).
What are the key properties of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 292.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 112524804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).