N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

C18H17N5 — CID 11392509

IUPACN-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCc1cccc(CCNc2nnc3c(n2)[nH]c2ccccc23)c1
InChIInChI=1S/C18H17N5/c1-12-5-4-6-13(11-12)9-10-19-18-21-17-16(22-23-18)14-7-2-3-8-15(14)20-17/h2-8,11H,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyQAHWETBRRCLVKF-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.47
Rot. Bonds4

About N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 11392509) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID11392509
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCc1cccc(CCNc2nnc3c(n2)[nH]c2ccccc23)c1
InChIInChI=1S/C18H17N5/c1-12-5-4-6-13(11-12)9-10-19-18-21-17-16(22-23-18)14-7-2-3-8-15(14)20-17/h2-8,11H,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyQAHWETBRRCLVKF-UHFFFAOYSA-N
XLogP3.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 62313746
N',N'-dipropyl-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hexane-1,6-diamine
CID 172966155
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
N-(1-phenylpropan-2-ylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6754175
N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6415570
ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 91259298
3-[(2,5-dimethylphenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
CID 8916968
N-[(E)-1H-indol-3-ylmethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 135458959
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
N-[(3-bromophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6791794
5H-[1,2,4]triazino[5,6-b]indole-3-thiolate
CID 6412479
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 11392509) is N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is Cc1cccc(CCNc2nnc3c(n2)[nH]c2ccccc23)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is QAHWETBRRCLVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-12-5-4-6-13(11-12)9-10-19-18-21-17-16(22-23-18)14-7-2-3-8-15(14)20-17/h2-8,11H,9-10H2,1H3,(H2,19,20,21,23).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 303.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 11392509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).