5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine

C24H24N8 — CID 137089234

IUPAC5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine
SMILESCCc1nnc(N/N=C\c2c(C)[nH]c3ccccc23)n1/N=C\c1c(C)[nH]c2ccccc12
InChIInChI=1S/C24H24N8/c1-4-23-29-31-24(30-25-13-19-15(2)27-21-11-7-5-9-17(19)21)32(23)26-14-20-16(3)28-22-12-8-6-10-18(20)22/h5-14,27-28H,4H2,1-3H3,(H,30,31)/b25-13-,26-14-
InChIKeyDSDXZARTDKERBP-WFBNZKAHSA-N
MW424.51 g/mol
LogP4.75
Rot. Bonds6

About 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine

5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine (PubChem CID 137089234) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine
PubChem CID137089234
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC Name5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine
SMILESCCc1nnc(N/N=C\c2c(C)[nH]c3ccccc23)n1/N=C\c1c(C)[nH]c2ccccc12
InChIInChI=1S/C24H24N8/c1-4-23-29-31-24(30-25-13-19-15(2)27-21-11-7-5-9-17(19)21)32(23)26-14-20-16(3)28-22-12-8-6-10-18(20)22/h5-14,27-28H,4H2,1-3H3,(H,30,31)/b25-13-,26-14-
InChIKeyDSDXZARTDKERBP-WFBNZKAHSA-N
XLogP4.75
TPSA99.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine with MolForge

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Related Compounds

N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine
CID 137045142
3-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazole-3,4-diamine;dihydrochloride
CID 137153076
1-ethyl-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135846336
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
(Z)-1-(2-methyl-1H-indol-3-yl)-N-[3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazol-4-yl]methanimine
CID 136874257
2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
CID 3656134
4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136822328
3-(2-ethoxyphenyl)-4-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 136873977
4-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 135620411
(E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 135771176
3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 135716458
1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine
CID 135458853

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine?
The IUPAC name of 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine (CID 137089234) is 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine is CCc1nnc(N/N=C\c2c(C)[nH]c3ccccc23)n1/N=C\c1c(C)[nH]c2ccccc12.
What is the InChIKey of 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine?
The InChIKey is DSDXZARTDKERBP-WFBNZKAHSA-N. The full InChI is InChI=1S/C24H24N8/c1-4-23-29-31-24(30-25-13-19-15(2)27-21-11-7-5-9-17(19)21)32(23)26-14-20-16(3)28-22-12-8-6-10-18(20)22/h5-14,27-28H,4H2,1-3H3,(H,30,31)/b25-13-,26-14-.
What are the key properties of 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine?
5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine has a molecular weight of 424.51 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine is sourced from PubChem (CID 137089234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).