2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol

C10H13ClN6O — CID 62863338

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H13ClN6O/c1-2-7(6-18)13-9-14-8(11)15-10(16-9)17-5-3-4-12-17/h3-5,7,18H,2,6H2,1H3,(H,13,14,15,16)
InChIKeyVLAHXUIUIPRMBD-UHFFFAOYSA-N
MW268.71 g/mol
LogP0.89
Rot. Bonds5

About 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol (PubChem CID 62863338) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
PubChem CID62863338
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H13ClN6O/c1-2-7(6-18)13-9-14-8(11)15-10(16-9)17-5-3-4-12-17/h3-5,7,18H,2,6H2,1H3,(H,13,14,15,16)
InChIKeyVLAHXUIUIPRMBD-UHFFFAOYSA-N
XLogP0.89
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol (CID 62863338) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol is CCC(CO)Nc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The InChIKey is VLAHXUIUIPRMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-2-7(6-18)13-9-14-8(11)15-10(16-9)17-5-3-4-12-17/h3-5,7,18H,2,6H2,1H3,(H,13,14,15,16).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol?
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol has a molecular weight of 268.71 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 62863338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).