5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine

C11H14ClN5 — CID 62887378

IUPAC5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(Cn2nc(C)nc2C)n1
InChIInChI=1S/C11H14ClN5/c1-7-14-8(2)17(16-7)6-10-9(12)4-5-11(13-3)15-10/h4-5H,6H2,1-3H3,(H,13,15)
InChIKeyBDHZCMREVDPCHJ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.03
Rot. Bonds3

About 5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine

5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 62887378) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine
PubChem CID62887378
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(Cn2nc(C)nc2C)n1
InChIInChI=1S/C11H14ClN5/c1-7-14-8(2)17(16-7)6-10-9(12)4-5-11(13-3)15-10/h4-5H,6H2,1-3H3,(H,13,15)
InChIKeyBDHZCMREVDPCHJ-UHFFFAOYSA-N
XLogP2.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine (CID 62887378) is 5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine is CNc1ccc(Cl)c(Cn2nc(C)nc2C)n1.
What is the InChIKey of 5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is BDHZCMREVDPCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7-14-8(2)17(16-7)6-10-9(12)4-5-11(13-3)15-10/h4-5H,6H2,1-3H3,(H,13,15).
What are the key properties of 5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine?
5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62887378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).