(Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide

C11H20FN7O — CID 146527082

IUPAC(Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C(N)=C/N(N)CCC(F)Cn1cc(C)nn1
InChIInChI=1S/C11H20FN7O/c1-8-5-19(17-16-8)6-9(12)3-4-18(14)7-10(13)11(20)15-2/h5,7,9H,3-4,6,13-14H2,1-2H3,(H,15,20)/b10-7-
InChIKeyUUJHUPWATGUFTM-YFHOEESVSA-N
MW285.33 g/mol
LogP-0.96
Rot. Bonds7

About (Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide

(Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide (PubChem CID 146527082) has the molecular formula C11H20FN7O and a molecular weight of 285.33 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide
PubChem CID146527082
Molecular FormulaC11H20FN7O
Molecular Weight285.33 g/mol
Exact Mass285.17
IUPAC Name(Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C(N)=C/N(N)CCC(F)Cn1cc(C)nn1
InChIInChI=1S/C11H20FN7O/c1-8-5-19(17-16-8)6-9(12)3-4-18(14)7-10(13)11(20)15-2/h5,7,9H,3-4,6,13-14H2,1-2H3,(H,15,20)/b10-7-
InChIKeyUUJHUPWATGUFTM-YFHOEESVSA-N
XLogP-0.96
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)acetamide
CID 113314179
1-[(2R)-2-fluoropentyl]-N-methyltriazole-4-carboxamide
CID 145746776
1-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]-N-methyltriazole-4-carboxamide
CID 146527025
3-[2-fluoro-4-(4-formyltriazol-1-yl)butyl]-N-methyl-1,2-dihydrotriazole-5-carboxamide
CID 146527712
2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66191828
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66192308
2-[4-(propylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66192769
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66194680
2-[4-(aminomethyl)triazol-1-yl]-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 105937668
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 113314088
2-[4-(aminomethyl)triazol-1-yl]-N-(4,4,4-trifluorobutyl)acetamide
CID 113327461
2-amino-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]acetamide
CID 113632308

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide?
The IUPAC name of (Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide (CID 146527082) is (Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide?
The canonical SMILES for (Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide is CNC(=O)/C(N)=C/N(N)CCC(F)Cn1cc(C)nn1.
What is the InChIKey of (Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide?
The InChIKey is UUJHUPWATGUFTM-YFHOEESVSA-N. The full InChI is InChI=1S/C11H20FN7O/c1-8-5-19(17-16-8)6-9(12)3-4-18(14)7-10(13)11(20)15-2/h5,7,9H,3-4,6,13-14H2,1-2H3,(H,15,20)/b10-7-.
What are the key properties of (Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide?
(Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide has a molecular weight of 285.33 g/mol, XLogP of -0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[3-fluoro-4-(4-methyltriazol-1-yl)butyl]amino]-N-methylprop-2-enamide is sourced from PubChem (CID 146527082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).