5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine

C11H19N5 — CID 112938496

IUPAC5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1nncc(NC2CCCC2)n1
InChIInChI=1S/C11H19N5/c1-2-7-12-11-15-10(8-13-16-11)14-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,12,14,15,16)
InChIKeyBJATZFIXBGDVBP-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.05
Rot. Bonds5

About 5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine

5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938496) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938496
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1nncc(NC2CCCC2)n1
InChIInChI=1S/C11H19N5/c1-2-7-12-11-15-10(8-13-16-11)14-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,12,14,15,16)
InChIKeyBJATZFIXBGDVBP-UHFFFAOYSA-N
XLogP2.05
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112942256
5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940460
5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112942189
5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112939878
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
5-N-cyclopropyl-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112939096
5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938895
5-N-cycloheptyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945300
5-N-cyclohexyl-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112942210
3-N-[(4-chlorophenyl)methyl]-5-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942208
5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942263
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938496) is 5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine is CCCNc1nncc(NC2CCCC2)n1.
What is the InChIKey of 5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is BJATZFIXBGDVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-2-7-12-11-15-10(8-13-16-11)14-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,12,14,15,16).
What are the key properties of 5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine?
5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 221.31 g/mol, XLogP of 2.05, 5 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-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).