N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide

C10H19N5O — CID 56714239

IUPACN-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide
SMILESCC(C)NC(=O)CNC(C)Cn1cncn1
InChIInChI=1S/C10H19N5O/c1-8(2)14-10(16)4-12-9(3)5-15-7-11-6-13-15/h6-9,12H,4-5H2,1-3H3,(H,14,16)
InChIKeyYYBTZACSYHFRRO-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.22
Rot. Bonds6

About N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide

N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide (PubChem CID 56714239) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide
PubChem CID56714239
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide
SMILESCC(C)NC(=O)CNC(C)Cn1cncn1
InChIInChI=1S/C10H19N5O/c1-8(2)14-10(16)4-12-9(3)5-15-7-11-6-13-15/h6-9,12H,4-5H2,1-3H3,(H,14,16)
InChIKeyYYBTZACSYHFRRO-UHFFFAOYSA-N
XLogP-0.22
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide?
The IUPAC name of N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide (CID 56714239) is N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide is CC(C)NC(=O)CNC(C)Cn1cncn1.
What is the InChIKey of N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide?
The InChIKey is YYBTZACSYHFRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(2)14-10(16)4-12-9(3)5-15-7-11-6-13-15/h6-9,12H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide?
N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide has a molecular weight of 225.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]acetamide is sourced from PubChem (CID 56714239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).