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

C14H15F2N5 — CID 112941612

IUPAC5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(Nc2nncc(NC3CCCC3)n2)cc1F
InChIInChI=1S/C14H15F2N5/c15-11-6-5-10(7-12(11)16)19-14-20-13(8-17-21-14)18-9-3-1-2-4-9/h5-9H,1-4H2,(H2,18,19,20,21)
InChIKeyRODWUFMQOSEQNQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.25
Rot. Bonds4

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

5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112941612) has the molecular formula C14H15F2N5 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112941612
Molecular FormulaC14H15F2N5
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(Nc2nncc(NC3CCCC3)n2)cc1F
InChIInChI=1S/C14H15F2N5/c15-11-6-5-10(7-12(11)16)19-14-20-13(8-17-21-14)18-9-3-1-2-4-9/h5-9H,1-4H2,(H2,18,19,20,21)
InChIKeyRODWUFMQOSEQNQ-UHFFFAOYSA-N
XLogP3.25
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942291
5-N-cyclopentyl-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941515
3-N-(3-chloro-4-methylphenyl)-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941538
5-N-cyclopentyl-3-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112941558
5-N-cycloheptyl-3-N-(3,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959235
3-N-(3-bromophenyl)-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959218
4-[[5-(cyclopentylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112941608
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
4-[[5-(cycloheptylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112959244
3-N-(3,4-difluorophenyl)-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963384
2-N-cycloheptyl-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112925031
5-N-cyclopropyl-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112939280

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine (CID 112941612) is 5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine is Fc1ccc(Nc2nncc(NC3CCCC3)n2)cc1F.
What is the InChIKey of 5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is RODWUFMQOSEQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5/c15-11-6-5-10(7-12(11)16)19-14-20-13(8-17-21-14)18-9-3-1-2-4-9/h5-9H,1-4H2,(H2,18,19,20,21).
What are the key properties of 5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 291.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112941612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).