(Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide

C13H15N5O — CID 162388056

IUPAC(Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide
SMILESNC(=O)/C=C(\N)c1n[nH]c(CCc2ccccc2)n1
InChIInChI=1S/C13H15N5O/c14-10(8-11(15)19)13-16-12(17-18-13)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H2,15,19)(H,16,17,18)/b10-8-
InChIKeyHVGXRRPUUNSVKX-NTMALXAHSA-N
MW257.30 g/mol
LogP0.37
Rot. Bonds5

About (Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide

(Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide (PubChem CID 162388056) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is (Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide
PubChem CID162388056
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name(Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide
SMILESNC(=O)/C=C(\N)c1n[nH]c(CCc2ccccc2)n1
InChIInChI=1S/C13H15N5O/c14-10(8-11(15)19)13-16-12(17-18-13)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H2,15,19)(H,16,17,18)/b10-8-
InChIKeyHVGXRRPUUNSVKX-NTMALXAHSA-N
XLogP0.37
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide
CID 50949655
4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]aniline
CID 82568521
[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79601055
3-cyclopropyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338115
(Z)-3-amino-6-phenylhex-2-enamide;hydrochloride
CID 19070463
5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 90351403
5-[2-(4-aminophenyl)ethyl]-1H-1,2,4-triazol-3-amine
CID 91704051
5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole
CID 62504307
3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole
CID 61337716
3-cyclohexyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338132
4-(2-phenylethyl)benzamide
CID 23130460
2-methyl-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]aniline
CID 82568607

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide?
The IUPAC name of (Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide (CID 162388056) is (Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide is NC(=O)/C=C(\N)c1n[nH]c(CCc2ccccc2)n1.
What is the InChIKey of (Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide?
The InChIKey is HVGXRRPUUNSVKX-NTMALXAHSA-N. The full InChI is InChI=1S/C13H15N5O/c14-10(8-11(15)19)13-16-12(17-18-13)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H2,15,19)(H,16,17,18)/b10-8-.
What are the key properties of (Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide?
(Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide has a molecular weight of 257.30 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide is sourced from PubChem (CID 162388056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).