2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

C12H14Cl2N6 — CID 62865955

IUPAC2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCc1nn(-c2nc(Cl)nc(N3CCCC3)n2)c(C)c1Cl
InChIInChI=1S/C12H14Cl2N6/c1-7-9(13)8(2)20(18-7)12-16-10(14)15-11(17-12)19-5-3-4-6-19/h3-6H2,1-2H3
InChIKeyAGJOJMQPRJJBRI-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.58
Rot. Bonds2

About 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 62865955) has the molecular formula C12H14Cl2N6 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID62865955
Molecular FormulaC12H14Cl2N6
Molecular Weight313.19 g/mol
Exact Mass312.07
IUPAC Name2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCc1nn(-c2nc(Cl)nc(N3CCCC3)n2)c(C)c1Cl
InChIInChI=1S/C12H14Cl2N6/c1-7-9(13)8(2)20(18-7)12-16-10(14)15-11(17-12)19-5-3-4-6-19/h3-6H2,1-2H3
InChIKeyAGJOJMQPRJJBRI-UHFFFAOYSA-N
XLogP2.58
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
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[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
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4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
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4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
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4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62864514
4-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102891441
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 62865955) is 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is Cc1nn(-c2nc(Cl)nc(N3CCCC3)n2)c(C)c1Cl.
What is the InChIKey of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is AGJOJMQPRJJBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N6/c1-7-9(13)8(2)20(18-7)12-16-10(14)15-11(17-12)19-5-3-4-6-19/h3-6H2,1-2H3.
What are the key properties of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 313.19 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62865955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).