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

C6H9ClN4O — CID 82237449

IUPAC1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1cnnc(Cl)n1
InChIInChI=1S/C6H9ClN4O/c1-4(12)2-8-5-3-9-11-6(7)10-5/h3-4,12H,2H2,1H3,(H,8,10,11)
InChIKeyWKIXWOSDGRTTDG-UHFFFAOYSA-N
MW188.62 g/mol
LogP0.32
Rot. Bonds3

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

1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol (PubChem CID 82237449) has the molecular formula C6H9ClN4O and a molecular weight of 188.62 g/mol. Its IUPAC name is 1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
PubChem CID82237449
Molecular FormulaC6H9ClN4O
Molecular Weight188.62 g/mol
Exact Mass188.05
IUPAC Name1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1cnnc(Cl)n1
InChIInChI=1S/C6H9ClN4O/c1-4(12)2-8-5-3-9-11-6(7)10-5/h3-4,12H,2H2,1H3,(H,8,10,11)
InChIKeyWKIXWOSDGRTTDG-UHFFFAOYSA-N
XLogP0.32
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

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Related Compounds

(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 114998205
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate
CID 114999415
3-chloro-N-pentyl-1,2,4-triazin-5-amine
CID 114999369
1-[[6-(ethylamino)pyrazin-2-yl]amino]propan-2-ol
CID 78990450
3-chloro-N-pentan-3-yl-1,2,4-triazin-5-amine
CID 114999367
3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine
CID 114999418
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-3-methylbutanoate
CID 114999989
(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
CID 126987917
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine
CID 82237575
(2R)-2-[(3-chloro-1,2,4-triazin-5-yl)amino]-6,6,6-trifluorohexan-3-one
CID 161454950

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol (CID 82237449) is 1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol is CC(O)CNc1cnnc(Cl)n1.
What is the InChIKey of 1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol?
The InChIKey is WKIXWOSDGRTTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O/c1-4(12)2-8-5-3-9-11-6(7)10-5/h3-4,12H,2H2,1H3,(H,8,10,11).
What are the key properties of 1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol?
1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol has a molecular weight of 188.62 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol is sourced from PubChem (CID 82237449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).