N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide

C10H16N4O2 — CID 43577017

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)N(CCO)C1CC1
InChIInChI=1S/C10H16N4O2/c15-8-7-14(9-1-2-9)10(16)3-5-13-6-4-11-12-13/h4,6,9,15H,1-3,5,7-8H2
InChIKeyKCLQMORLRRQKCX-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.35
Rot. Bonds6

About N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide

N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide (PubChem CID 43577017) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
PubChem CID43577017
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)N(CCO)C1CC1
InChIInChI=1S/C10H16N4O2/c15-8-7-14(9-1-2-9)10(16)3-5-13-6-4-11-12-13/h4,6,9,15H,1-3,5,7-8H2
InChIKeyKCLQMORLRRQKCX-UHFFFAOYSA-N
XLogP-0.35
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide (CID 43577017) is N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
The InChIKey is KCLQMORLRRQKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-8-7-14(9-1-2-9)10(16)3-5-13-6-4-11-12-13/h4,6,9,15H,1-3,5,7-8H2.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide has a molecular weight of 224.26 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43577017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).