(Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine

C21H28N4 — CID 139459227

IUPAC(Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine
SMILESC=C(C)c1nc(CC/C(N)=C(C)/C=C2/C=CC=CC2)nn1/C(C)=C\C
InChIInChI=1S/C21H28N4/c1-6-17(5)25-21(15(2)3)23-20(24-25)13-12-19(22)16(4)14-18-10-8-7-9-11-18/h6-10,14H,2,11-13,22H2,1,3-5H3/b17-6-,18-14-,19-16-
InChIKeyJLJXZGSMQIIOJU-OCHSBIJESA-N
MW336.48 g/mol
LogP4.80
Rot. Bonds6

About (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine

(Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine (PubChem CID 139459227) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine.

Molecular Properties

Compound Name(Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine
PubChem CID139459227
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name(Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine
SMILESC=C(C)c1nc(CC/C(N)=C(C)/C=C2/C=CC=CC2)nn1/C(C)=C\C
InChIInChI=1S/C21H28N4/c1-6-17(5)25-21(15(2)3)23-20(24-25)13-12-19(22)16(4)14-18-10-8-7-9-11-18/h6-10,14H,2,11-13,22H2,1,3-5H3/b17-6-,18-14-,19-16-
InChIKeyJLJXZGSMQIIOJU-OCHSBIJESA-N
XLogP4.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine?
The IUPAC name of (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine (CID 139459227) is (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine.
What is the SMILES notation for (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine?
The canonical SMILES for (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine is C=C(C)c1nc(CC/C(N)=C(C)/C=C2/C=CC=CC2)nn1/C(C)=C\C.
What is the InChIKey of (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine?
The InChIKey is JLJXZGSMQIIOJU-OCHSBIJESA-N. The full InChI is InChI=1S/C21H28N4/c1-6-17(5)25-21(15(2)3)23-20(24-25)13-12-19(22)16(4)14-18-10-8-7-9-11-18/h6-10,14H,2,11-13,22H2,1,3-5H3/b17-6-,18-14-,19-16-.
What are the key properties of (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine?
(Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine has a molecular weight of 336.48 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine is sourced from PubChem (CID 139459227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).