3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine

C20H29N5 — CID 112941777

IUPAC3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine
SMILESCC(C)c1cccc(C(C)C)c1Nc1cnnc(NC2CCCC2)n1
InChIInChI=1S/C20H29N5/c1-13(2)16-10-7-11-17(14(3)4)19(16)23-18-12-21-25-20(24-18)22-15-8-5-6-9-15/h7,10-15H,5-6,8-9H2,1-4H3,(H2,22,23,24,25)
InChIKeyXKYNZMWQYSIEKB-UHFFFAOYSA-N
MW339.49 g/mol
LogP5.22
Rot. Bonds6

About 3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine

3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112941777) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine
PubChem CID112941777
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine
SMILESCC(C)c1cccc(C(C)C)c1Nc1cnnc(NC2CCCC2)n1
InChIInChI=1S/C20H29N5/c1-13(2)16-10-7-11-17(14(3)4)19(16)23-18-12-21-25-20(24-18)22-15-8-5-6-9-15/h7,10-15H,5-6,8-9H2,1-4H3,(H2,22,23,24,25)
InChIKeyXKYNZMWQYSIEKB-UHFFFAOYSA-N
XLogP5.22
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.49
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959280
3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938766
3-N-cyclopentyl-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112941742
5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942482
3-N-cycloheptyl-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959354
3-N-cyclohexyl-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942495
3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941706
3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942477
3-(azepan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazin-5-amine
CID 112961435
5-N-(5-chloro-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941727
4-[[5-[2,6-di(propan-2-yl)anilino]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112969331

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine (CID 112941777) is 3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine is CC(C)c1cccc(C(C)C)c1Nc1cnnc(NC2CCCC2)n1.
What is the InChIKey of 3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is XKYNZMWQYSIEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-13(2)16-10-7-11-17(14(3)4)19(16)23-18-12-21-25-20(24-18)22-15-8-5-6-9-15/h7,10-15H,5-6,8-9H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine?
3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 339.49 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112941777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).