3-chloro-N-pentyl-1,2,4-triazin-5-amine

C8H13ClN4 — CID 114999369

IUPAC3-chloro-N-pentyl-1,2,4-triazin-5-amine
SMILESCCCCCNc1cnnc(Cl)n1
InChIInChI=1S/C8H13ClN4/c1-2-3-4-5-10-7-6-11-13-8(9)12-7/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyUSMPXQKDOLGURY-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.13
Rot. Bonds5

About 3-chloro-N-pentyl-1,2,4-triazin-5-amine

3-chloro-N-pentyl-1,2,4-triazin-5-amine (PubChem CID 114999369) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-chloro-N-pentyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-pentyl-1,2,4-triazin-5-amine
PubChem CID114999369
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name3-chloro-N-pentyl-1,2,4-triazin-5-amine
SMILESCCCCCNc1cnnc(Cl)n1
InChIInChI=1S/C8H13ClN4/c1-2-3-4-5-10-7-6-11-13-8(9)12-7/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyUSMPXQKDOLGURY-UHFFFAOYSA-N
XLogP2.13
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 114998205
3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine
CID 114999418
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570
3-N-(2-chlorophenyl)-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112959825
3-N-butan-2-yl-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112940921
3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine
CID 114999031
3-N-(3-chloro-2-methylphenyl)-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112959828
1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
CID 82237449
3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112959814
2-chloro-N-octyl-6-propylpyrimidin-4-amine
CID 82460778
N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958107
5-butoxy-3-chloro-1,2,4-triazine
CID 114998193

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pentyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-pentyl-1,2,4-triazin-5-amine (CID 114999369) is 3-chloro-N-pentyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-pentyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-pentyl-1,2,4-triazin-5-amine is CCCCCNc1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-pentyl-1,2,4-triazin-5-amine?
The InChIKey is USMPXQKDOLGURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-2-3-4-5-10-7-6-11-13-8(9)12-7/h6H,2-5H2,1H3,(H,10,12,13).
What are the key properties of 3-chloro-N-pentyl-1,2,4-triazin-5-amine?
3-chloro-N-pentyl-1,2,4-triazin-5-amine has a molecular weight of 200.67 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pentyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 114999369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).