4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine

C12H17ClN6 — CID 177370165

IUPAC4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
SMILESCc1cnn2c(N[C@@H]3CCCN(C)C3)nnc(Cl)c12
InChIInChI=1S/C12H17ClN6/c1-8-6-14-19-10(8)11(13)16-17-12(19)15-9-4-3-5-18(2)7-9/h6,9H,3-5,7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyKZTRHRWPCIPEEV-SECBINFHSA-N
MW280.76 g/mol
LogP1.59
Rot. Bonds2

About 4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine

4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine (PubChem CID 177370165) has the molecular formula C12H17ClN6 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
PubChem CID177370165
Molecular FormulaC12H17ClN6
Molecular Weight280.76 g/mol
Exact Mass280.12
IUPAC Name4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
SMILESCc1cnn2c(N[C@@H]3CCCN(C)C3)nnc(Cl)c12
InChIInChI=1S/C12H17ClN6/c1-8-6-14-19-10(8)11(13)16-17-12(19)15-9-4-3-5-18(2)7-9/h6,9H,3-5,7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyKZTRHRWPCIPEEV-SECBINFHSA-N
XLogP1.59
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The IUPAC name of 4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine (CID 177370165) is 4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine.
What is the SMILES notation for 4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The canonical SMILES for 4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine is Cc1cnn2c(N[C@@H]3CCCN(C)C3)nnc(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The InChIKey is KZTRHRWPCIPEEV-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN6/c1-8-6-14-19-10(8)11(13)16-17-12(19)15-9-4-3-5-18(2)7-9/h6,9H,3-5,7H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine has a molecular weight of 280.76 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[1,5-d][1,2,4]triazin-7-amine is sourced from PubChem (CID 177370165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).