N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide

C7H10N4O2 — CID 57182824

IUPACN-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide
SMILESC=C(C(=O)NC(C)O)c1ncn[nH]1
InChIInChI=1S/C7H10N4O2/c1-4(6-8-3-9-11-6)7(13)10-5(2)12/h3,5,12H,1H2,2H3,(H,10,13)(H,8,9,11)
InChIKeyNXOGJZRNKUZFMD-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.73
Rot. Bonds3

About N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide

N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide (PubChem CID 57182824) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide
PubChem CID57182824
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide
SMILESC=C(C(=O)NC(C)O)c1ncn[nH]1
InChIInChI=1S/C7H10N4O2/c1-4(6-8-3-9-11-6)7(13)10-5(2)12/h3,5,12H,1H2,2H3,(H,10,13)(H,8,9,11)
InChIKeyNXOGJZRNKUZFMD-UHFFFAOYSA-N
XLogP-0.73
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 140570560

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
The IUPAC name of N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide (CID 57182824) is N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide.
What is the SMILES notation for N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
The canonical SMILES for N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide is C=C(C(=O)NC(C)O)c1ncn[nH]1.
What is the InChIKey of N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
The InChIKey is NXOGJZRNKUZFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-4(6-8-3-9-11-6)7(13)10-5(2)12/h3,5,12H,1H2,2H3,(H,10,13)(H,8,9,11).
What are the key properties of N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide has a molecular weight of 182.18 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide is sourced from PubChem (CID 57182824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).