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

C10H18N6O2 — CID 99972209

IUPAC2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc([C@H](C)NC(=O)CNC(=O)N(C)C)n[nH]1
InChIInChI=1S/C10H18N6O2/c1-6(9-13-7(2)14-15-9)12-8(17)5-11-10(18)16(3)4/h6H,5H2,1-4H3,(H,11,18)(H,12,17)(H,13,14,15)/t6-/m0/s1
InChIKeyJSHKTLZHYFSYFP-LURJTMIESA-N
MW254.29 g/mol
LogP-0.44
Rot. Bonds4

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

2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 99972209) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID99972209
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc([C@H](C)NC(=O)CNC(=O)N(C)C)n[nH]1
InChIInChI=1S/C10H18N6O2/c1-6(9-13-7(2)14-15-9)12-8(17)5-11-10(18)16(3)4/h6H,5H2,1-4H3,(H,11,18)(H,12,17)(H,13,14,15)/t6-/m0/s1
InChIKeyJSHKTLZHYFSYFP-LURJTMIESA-N
XLogP-0.44
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 99972209) is 2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1nc([C@H](C)NC(=O)CNC(=O)N(C)C)n[nH]1.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is JSHKTLZHYFSYFP-LURJTMIESA-N. The full InChI is InChI=1S/C10H18N6O2/c1-6(9-13-7(2)14-15-9)12-8(17)5-11-10(18)16(3)4/h6H,5H2,1-4H3,(H,11,18)(H,12,17)(H,13,14,15)/t6-/m0/s1.
What are the key properties of 2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 99972209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).