2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide

C12H16N8O2 — CID 112524244

IUPAC2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
SMILESCc1ncc(NC(=O)Cn2cc(NC(=O)N(C)C)nn2)cn1
InChIInChI=1S/C12H16N8O2/c1-8-13-4-9(5-14-8)15-11(21)7-20-6-10(17-18-20)16-12(22)19(2)3/h4-6H,7H2,1-3H3,(H,15,21)(H,16,22)
InChIKeyDWHBWXUSNAJKMS-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.11
Rot. Bonds4

About 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide (PubChem CID 112524244) has the molecular formula C12H16N8O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
PubChem CID112524244
Molecular FormulaC12H16N8O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
SMILESCc1ncc(NC(=O)Cn2cc(NC(=O)N(C)C)nn2)cn1
InChIInChI=1S/C12H16N8O2/c1-8-13-4-9(5-14-8)15-11(21)7-20-6-10(17-18-20)16-12(22)19(2)3/h4-6H,7H2,1-3H3,(H,15,21)(H,16,22)
InChIKeyDWHBWXUSNAJKMS-UHFFFAOYSA-N
XLogP0.11
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[1-[2-[(2-methylpyrimidin-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524242
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524243
N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112525388
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 112524804
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide
CID 112530623
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522698
1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea
CID 130605359
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 112530841
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 112522829
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112520798
2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 112525060
2-hydroxy-N-(2-methylpyrimidin-5-yl)acetamide
CID 83815969

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide (CID 112524244) is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide is Cc1ncc(NC(=O)Cn2cc(NC(=O)N(C)C)nn2)cn1.
What is the InChIKey of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide?
The InChIKey is DWHBWXUSNAJKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8O2/c1-8-13-4-9(5-14-8)15-11(21)7-20-6-10(17-18-20)16-12(22)19(2)3/h4-6H,7H2,1-3H3,(H,15,21)(H,16,22).
What are the key properties of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide?
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide has a molecular weight of 304.31 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 112524244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).