3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine

C16H21N5 — CID 112941706

IUPAC3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Nc2cnnc(NC3CCCC3)n2)cc1C
InChIInChI=1S/C16H21N5/c1-11-7-8-14(9-12(11)2)18-15-10-17-21-16(20-15)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyDTRWVOQZNCMWKS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.59
Rot. Bonds4

About 3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine

3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112941706) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112941706
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(Nc2cnnc(NC3CCCC3)n2)cc1C
InChIInChI=1S/C16H21N5/c1-11-7-8-14(9-12(11)2)18-15-10-17-21-16(20-15)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyDTRWVOQZNCMWKS-UHFFFAOYSA-N
XLogP3.59
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclopentyl-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941515
5-N-(3-chloro-4-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959293
3-N-cycloheptyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959272
3-N-(3-chloro-4-methylphenyl)-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941538
5-N-(5-chloro-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941727
3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959280
5-N-(5-chloro-2-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959291
3-N-cyclohexyl-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazine-3,5-diamine
CID 112942532
3-N-cycloheptyl-5-N-(3,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959352
5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941773
4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924888
4-N-cyclohexyl-6-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869059

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112941706) is 3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine is Cc1ccc(Nc2cnnc(NC3CCCC3)n2)cc1C.
What is the InChIKey of 3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is DTRWVOQZNCMWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-11-7-8-14(9-12(11)2)18-15-10-17-21-16(20-15)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.59, 4 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-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112941706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).