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

C12H17ClN6O — CID 106352572

IUPAC3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H17ClN6O/c1-8(2)9(4-7-20)15-11-16-10(13)17-12(18-11)19-6-3-5-14-19/h3,5-6,8-9,20H,4,7H2,1-2H3,(H,15,16,17,18)
InChIKeyABPNWTMUVUQWDQ-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.53
Rot. Bonds6

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

3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol (PubChem CID 106352572) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
PubChem CID106352572
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H17ClN6O/c1-8(2)9(4-7-20)15-11-16-10(13)17-12(18-11)19-6-3-5-14-19/h3,5-6,8-9,20H,4,7H2,1-2H3,(H,15,16,17,18)
InChIKeyABPNWTMUVUQWDQ-UHFFFAOYSA-N
XLogP1.53
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol with MolForge

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Related Compounds

3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106352573
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106346837
ethyl 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 62864276
4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62864902
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 79247433
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358209
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866465
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106350623

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol (CID 106352572) is 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
The InChIKey is ABPNWTMUVUQWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-8(2)9(4-7-20)15-11-16-10(13)17-12(18-11)19-6-3-5-14-19/h3,5-6,8-9,20H,4,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol?
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol has a molecular weight of 296.76 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106352572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).