1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine

C11H15N5 — CID 62294997

IUPAC1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(-n2nc(C)nc2C)nc1
InChIInChI=1S/C11H15N5/c1-8-14-9(2)16(15-8)11-5-4-10(6-12-3)7-13-11/h4-5,7,12H,6H2,1-3H3
InChIKeyJMBYUUANMUFWAE-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.00
Rot. Bonds3

About 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine

1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 62294997) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID62294997
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(-n2nc(C)nc2C)nc1
InChIInChI=1S/C11H15N5/c1-8-14-9(2)16(15-8)11-5-4-10(6-12-3)7-13-11/h4-5,7,12H,6H2,1-3H3
InChIKeyJMBYUUANMUFWAE-UHFFFAOYSA-N
XLogP1.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 62294997) is 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(-n2nc(C)nc2C)nc1.
What is the InChIKey of 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is JMBYUUANMUFWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-14-9(2)16(15-8)11-5-4-10(6-12-3)7-13-11/h4-5,7,12H,6H2,1-3H3.
What are the key properties of 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 217.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62294997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).