2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide

C11H20N6O2 — CID 91792809

IUPAC2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide
SMILESCC(C)CC(NC(=O)CNC(N)=O)c1ncnn1C
InChIInChI=1S/C11H20N6O2/c1-7(2)4-8(10-14-6-15-17(10)3)16-9(18)5-13-11(12)19/h6-8H,4-5H2,1-3H3,(H,16,18)(H3,12,13,19)
InChIKeyUHBGZMDPHPHREW-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.31
Rot. Bonds6

About 2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide

2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide (PubChem CID 91792809) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide
PubChem CID91792809
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide
SMILESCC(C)CC(NC(=O)CNC(N)=O)c1ncnn1C
InChIInChI=1S/C11H20N6O2/c1-7(2)4-8(10-14-6-15-17(10)3)16-9(18)5-13-11(12)19/h6-8H,4-5H2,1-3H3,(H,16,18)(H3,12,13,19)
InChIKeyUHBGZMDPHPHREW-UHFFFAOYSA-N
XLogP-0.31
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide?
The IUPAC name of 2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide (CID 91792809) is 2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide is CC(C)CC(NC(=O)CNC(N)=O)c1ncnn1C.
What is the InChIKey of 2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide?
The InChIKey is UHBGZMDPHPHREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-7(2)4-8(10-14-6-15-17(10)3)16-9(18)5-13-11(12)19/h6-8H,4-5H2,1-3H3,(H,16,18)(H3,12,13,19).
What are the key properties of 2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide?
2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide is sourced from PubChem (CID 91792809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).