3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol

C6H9ClN4O — CID 114998205

IUPAC3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol
SMILESOCCCNc1cnnc(Cl)n1
InChIInChI=1S/C6H9ClN4O/c7-6-10-5(4-9-11-6)8-2-1-3-12/h4,12H,1-3H2,(H,8,10,11)
InChIKeyICZMVSPCVKSWSU-UHFFFAOYSA-N
MW188.62 g/mol
LogP0.32
Rot. Bonds4

About 3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol

3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol (PubChem CID 114998205) has the molecular formula C6H9ClN4O and a molecular weight of 188.62 g/mol. Its IUPAC name is 3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol
PubChem CID114998205
Molecular FormulaC6H9ClN4O
Molecular Weight188.62 g/mol
Exact Mass188.05
IUPAC Name3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol
SMILESOCCCNc1cnnc(Cl)n1
InChIInChI=1S/C6H9ClN4O/c7-6-10-5(4-9-11-6)8-2-1-3-12/h4,12H,1-3H2,(H,8,10,11)
InChIKeyICZMVSPCVKSWSU-UHFFFAOYSA-N
XLogP0.32
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-pentyl-1,2,4-triazin-5-amine
CID 114999369
3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine
CID 114999418
1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
CID 82237449
3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine
CID 114999031
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate
CID 114999415
3-chloro-N-(2-thiophen-3-ylethyl)-1,2,4-triazin-5-amine
CID 115000535
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842931
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
3-[(4-chloro-5-fluoro-2-pyridinyl)amino]propan-1-ol
CID 166385249
3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine
CID 114999367
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine
CID 82237575

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol?
The IUPAC name of 3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol (CID 114998205) is 3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol is OCCCNc1cnnc(Cl)n1.
What is the InChIKey of 3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol?
The InChIKey is ICZMVSPCVKSWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O/c7-6-10-5(4-9-11-6)8-2-1-3-12/h4,12H,1-3H2,(H,8,10,11).
What are the key properties of 3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol?
3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol has a molecular weight of 188.62 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol is sourced from PubChem (CID 114998205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).