N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide

C10H18N4O2 — CID 43572991

IUPACN-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)N(CCO)C(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O2/c1-9(2)14(5-6-15)10(16)3-4-13-8-11-7-12-13/h7-9,15H,3-6H2,1-2H3
InChIKeyDASNOLRQQLXEMU-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds6

About N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide

N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43572991) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID43572991
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)N(CCO)C(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O2/c1-9(2)14(5-6-15)10(16)3-4-13-8-11-7-12-13/h7-9,15H,3-6H2,1-2H3
InChIKeyDASNOLRQQLXEMU-UHFFFAOYSA-N
XLogP-0.10
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide (CID 43572991) is N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide is CC(C)N(CCO)C(=O)CCn1cncn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DASNOLRQQLXEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-9(2)14(5-6-15)10(16)3-4-13-8-11-7-12-13/h7-9,15H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43572991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).