(Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine

C16H23N5 — CID 143995155

IUPAC(Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine
SMILESC/C=C(/CNCC)Nc1nc(C2=CCC=CC=C2)nn1C
InChIInChI=1S/C16H23N5/c1-4-14(12-17-5-2)18-16-19-15(20-21(16)3)13-10-8-6-7-9-11-13/h4,6-8,10-11,17H,5,9,12H2,1-3H3,(H,18,19,20)/b14-4-
InChIKeyVWDUODRXYVDIDJ-CPSFFCFKSA-N
MW285.39 g/mol
LogP2.64
Rot. Bonds6

About (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine

(Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine (PubChem CID 143995155) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine
PubChem CID143995155
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name(Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine
SMILESC/C=C(/CNCC)Nc1nc(C2=CCC=CC=C2)nn1C
InChIInChI=1S/C16H23N5/c1-4-14(12-17-5-2)18-16-19-15(20-21(16)3)13-10-8-6-7-9-11-13/h4,6-8,10-11,17H,5,9,12H2,1-3H3,(H,18,19,20)/b14-4-
InChIKeyVWDUODRXYVDIDJ-CPSFFCFKSA-N
XLogP2.64
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-cyclohexa-1,3-dien-1-yl-N,2-diethyl-1,2,4-triazol-3-amine
CID 67679893
(E)-N,3-dimethyl-4-methylimino-4-(2-methyl-7H-[1,2,4]triazolo[1,5-a]azepin-8-yl)but-2-en-2-amine
CID 134567652
5-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-methyl-N-propyl-1,2,4-triazol-3-amine
CID 137468650
5-(2,5-Dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine
CID 141127060
N-tert-butyl-6-(4-methyl-1,2,4-triazol-3-yl)cyclohepta-1,4,6-trien-1-amine
CID 143181223
(4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine
CID 143342785
[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine;ethane
CID 143344509
(3E)-N-[[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]hexa-1,3,5-trien-3-amine
CID 143995021
(Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine;ethane;formaldehyde
CID 143995154
ethene;(Z)-3-[[2-ethyl-5-[(3E,5Z)-5-methylhepta-1,3,5-trien-4-yl]-1,2,4-triazol-3-yl]amino]-4-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]but-2-enal
CID 143995695
[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 143344510
(Z)-3-[[2-ethyl-5-[(3E,5Z)-5-methylhepta-1,3,5-trien-4-yl]-1,2,4-triazol-3-yl]amino]-4-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]but-2-enal
CID 143995696

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine (CID 143995155) is (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine is C/C=C(/CNCC)Nc1nc(C2=CCC=CC=C2)nn1C.
What is the InChIKey of (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine?
The InChIKey is VWDUODRXYVDIDJ-CPSFFCFKSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-14(12-17-5-2)18-16-19-15(20-21(16)3)13-10-8-6-7-9-11-13/h4,6-8,10-11,17H,5,9,12H2,1-3H3,(H,18,19,20)/b14-4-.
What are the key properties of (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine?
(Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine is sourced from PubChem (CID 143995155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).