(5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine

C24H35F3N4 — CID 144891518

IUPAC(5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine
SMILESC=C(/C=C\C=C/C)C(C)CCN(C)/C(CC)=C(/c1nnc(CC2CC2)n1C)C(F)(F)F
InChIInChI=1S/C24H35F3N4/c1-7-9-10-11-17(3)18(4)14-15-30(5)20(8-2)22(24(25,26)27)23-29-28-21(31(23)6)16-19-12-13-19/h7,9-11,18-19H,3,8,12-16H2,1-2,4-6H3/b9-7-,11-10-,22-20-
InChIKeyIZZJCEZGJNWQLK-OACPQOEASA-N
MW436.57 g/mol
LogP6.10
Rot. Bonds11

About (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine

(5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine (PubChem CID 144891518) has the molecular formula C24H35F3N4 and a molecular weight of 436.57 g/mol. Its IUPAC name is (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine
PubChem CID144891518
Molecular FormulaC24H35F3N4
Molecular Weight436.57 g/mol
Exact Mass436.28
IUPAC Name(5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine
SMILESC=C(/C=C\C=C/C)C(C)CCN(C)/C(CC)=C(/c1nnc(CC2CC2)n1C)C(F)(F)F
InChIInChI=1S/C24H35F3N4/c1-7-9-10-11-17(3)18(4)14-15-30(5)20(8-2)22(24(25,26)27)23-29-28-21(31(23)6)16-19-12-13-19/h7,9-11,18-19H,3,8,12-16H2,1-2,4-6H3/b9-7-,11-10-,22-20-
InChIKeyIZZJCEZGJNWQLK-OACPQOEASA-N
XLogP6.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.57
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[4-[(2E)-penta-2,4-dien-2-yl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 117973550
(3E)-N-(2,2-difluoroethyl)-N-methyl-3-[(1-methyl-5-propyl-1,2,4-triazol-3-yl)methylidene]pent-1-en-2-amine
CID 123228896
N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[3-(difluoromethyl)-5-ethenyl-1,2,4-triazol-4-yl]ethenyl]-N-methylcyclohexa-1,5-dien-1-amine
CID 144130368
4-[(2Z,4E,6Z)-cyclodeca-2,4,6-trien-1-yl]-3-[(Z)-4-[(1S)-2-methylcyclopropyl]but-3-enyl]-5-[(3Z,5Z)-octa-3,5-dienyl]-1,2,4-triazole
CID 174066094

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine?
The IUPAC name of (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine (CID 144891518) is (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine.
What is the SMILES notation for (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine?
The canonical SMILES for (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine is C=C(/C=C\C=C/C)C(C)CCN(C)/C(CC)=C(/c1nnc(CC2CC2)n1C)C(F)(F)F.
What is the InChIKey of (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine?
The InChIKey is IZZJCEZGJNWQLK-OACPQOEASA-N. The full InChI is InChI=1S/C24H35F3N4/c1-7-9-10-11-17(3)18(4)14-15-30(5)20(8-2)22(24(25,26)27)23-29-28-21(31(23)6)16-19-12-13-19/h7,9-11,18-19H,3,8,12-16H2,1-2,4-6H3/b9-7-,11-10-,22-20-.
What are the key properties of (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine?
(5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine has a molecular weight of 436.57 g/mol, XLogP of 6.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-N-[(Z)-2-[5-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1,1,1-trifluoropent-2-en-3-yl]-N,3-dimethyl-4-methylidenenona-5,7-dien-1-amine is sourced from PubChem (CID 144891518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).