5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine

C17H23N5O — CID 112959183

IUPAC5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1Nc1nncc(NC2CCCCCC2)n1
InChIInChI=1S/C17H23N5O/c1-23-15-11-7-6-10-14(15)20-17-21-16(12-18-22-17)19-13-8-4-2-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H2,19,20,21,22)
InChIKeySHVFWIFEVGJAKV-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.76
Rot. Bonds5

About 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine

5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112959183) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112959183
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1Nc1nncc(NC2CCCCCC2)n1
InChIInChI=1S/C17H23N5O/c1-23-15-11-7-6-10-14(15)20-17-21-16(12-18-22-17)19-13-8-4-2-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H2,19,20,21,22)
InChIKeySHVFWIFEVGJAKV-UHFFFAOYSA-N
XLogP3.76
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine 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

5-N-cycloheptyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959189
5-N-cyclopentyl-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941550
3-N-(5-chloro-2-methoxyphenyl)-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941542
5-N-cyclopentyl-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112941449
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
3-N-cyclopentyl-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112941742
3-N-cyclohexyl-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942495
5-N-cycloheptyl-3-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959237
3-N-cyclohexyl-5-N-(2,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942501
3-N-cyclohexyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942500
3-N-cyclopentyl-5-N-(2,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112941745
3-N-(2-chlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965783

Frequently Asked Questions

What is the IUPAC name of 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112959183) is 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine is COc1ccccc1Nc1nncc(NC2CCCCCC2)n1.
What is the InChIKey of 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is SHVFWIFEVGJAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-23-15-11-7-6-10-14(15)20-17-21-16(12-18-22-17)19-13-8-4-2-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3,(H2,19,20,21,22).
What are the key properties of 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 313.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).