3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

C13H23N5 — CID 112938766

IUPAC3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1cnnc(NC2CCCCCC2)n1
InChIInChI=1S/C13H23N5/c1-10(2)15-12-9-14-18-13(17-12)16-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyWCJBACAILYXXHI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.83
Rot. Bonds4

About 3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112938766) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112938766
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1cnnc(NC2CCCCCC2)n1
InChIInChI=1S/C13H23N5/c1-10(2)15-12-9-14-18-13(17-12)16-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyWCJBACAILYXXHI-UHFFFAOYSA-N
XLogP2.83
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938895
3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959280
5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940460
3-N-cycloheptyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959272
5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112939878
3-N-cyclohexyl-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112942374
3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112941777
3-N-cyclohexyl-5-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112942474
3-N-cycloheptyl-5-N-(3,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959352
3-N-cyclopentyl-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112941742
3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942477
3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941706

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112938766) is 3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is CC(C)Nc1cnnc(NC2CCCCCC2)n1.
What is the InChIKey of 3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is WCJBACAILYXXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10(2)15-12-9-14-18-13(17-12)16-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).