(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide

C10H14N6O3 — CID 108844530

IUPAC(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1ncn[nH]1)C(=O)N(CCO)CCO
InChIInChI=1S/C10H14N6O3/c11-5-8(6-12-10-13-7-14-15-10)9(19)16(1-3-17)2-4-18/h6-7,17-18H,1-4H2,(H2,12,13,14,15)/b8-6-
InChIKeyAGWYRIUXSHSGAZ-VURMDHGXSA-N
MW266.26 g/mol
LogP-1.56
Rot. Bonds7

About (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide

(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide (PubChem CID 108844530) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
PubChem CID108844530
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1ncn[nH]1)C(=O)N(CCO)CCO
InChIInChI=1S/C10H14N6O3/c11-5-8(6-12-10-13-7-14-15-10)9(19)16(1-3-17)2-4-18/h6-7,17-18H,1-4H2,(H2,12,13,14,15)/b8-6-
InChIKeyAGWYRIUXSHSGAZ-VURMDHGXSA-N
XLogP-1.56
TPSA138.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N-butan-2-yl-2-cyano-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108834527
(Z)-2-cyano-N-cyclododecyl-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108862748
(Z)-2-cyano-N-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108851985
(Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 108844443
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enenitrile
CID 108862002
(Z)-2-cyano-3-(1H-1,2,4-triazol-5-ylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851244
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108844509
2-[[(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
CID 108844369
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(3-hydroxypropylamino)prop-2-enamide
CID 108844472
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108855710
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 108844347
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108840848

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide (CID 108844530) is (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide is N#C/C(=C/Nc1ncn[nH]1)C(=O)N(CCO)CCO.
What is the InChIKey of (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide?
The InChIKey is AGWYRIUXSHSGAZ-VURMDHGXSA-N. The full InChI is InChI=1S/C10H14N6O3/c11-5-8(6-12-10-13-7-14-15-10)9(19)16(1-3-17)2-4-18/h6-7,17-18H,1-4H2,(H2,12,13,14,15)/b8-6-.
What are the key properties of (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide?
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide has a molecular weight of 266.26 g/mol, XLogP of -1.56, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide is sourced from PubChem (CID 108844530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).