4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H12ClN7O — CID 106389489

IUPAC4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1cnc(C(C)Nc2nc(Cl)nc(-n3cccn3)n2)o1
InChIInChI=1S/C12H12ClN7O/c1-7-6-14-9(21-7)8(2)16-11-17-10(13)18-12(19-11)20-5-3-4-15-20/h3-6,8H,1-2H3,(H,16,17,18,19)
InChIKeyZLBDRKSVQOYCPY-UHFFFAOYSA-N
MW305.73 g/mol
LogP2.18
Rot. Bonds4

About 4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 106389489) has the molecular formula C12H12ClN7O and a molecular weight of 305.73 g/mol. Its IUPAC name is 4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID106389489
Molecular FormulaC12H12ClN7O
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1cnc(C(C)Nc2nc(Cl)nc(-n3cccn3)n2)o1
InChIInChI=1S/C12H12ClN7O/c1-7-6-14-9(21-7)8(2)16-11-17-10(13)18-12(19-11)20-5-3-4-15-20/h3-6,8H,1-2H3,(H,16,17,18,19)
InChIKeyZLBDRKSVQOYCPY-UHFFFAOYSA-N
XLogP2.18
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62864902
4-chloro-6-pyrazol-1-yl-N-(1-thiophen-3-ylethyl)-1,3,5-triazin-2-amine
CID 62863151
ethyl 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 62864276
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106346837
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106352572
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946633
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 104844331
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 106389489) is 4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Cc1cnc(C(C)Nc2nc(Cl)nc(-n3cccn3)n2)o1.
What is the InChIKey of 4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZLBDRKSVQOYCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN7O/c1-7-6-14-9(21-7)8(2)16-11-17-10(13)18-12(19-11)20-5-3-4-15-20/h3-6,8H,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 305.73 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106389489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).