N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine

C15H23N5O — CID 106597923

IUPACN-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)c(CNC(C)(C)C)c(Oc2ncn(C)n2)n1
InChIInChI=1S/C15H23N5O/c1-10-7-11(2)18-13(12(10)8-17-15(3,4)5)21-14-16-9-20(6)19-14/h7,9,17H,8H2,1-6H3
InChIKeySIGRBQNIVGKKQK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.51
Rot. Bonds4

About N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 106597923) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID106597923
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)c(CNC(C)(C)C)c(Oc2ncn(C)n2)n1
InChIInChI=1S/C15H23N5O/c1-10-7-11(2)18-13(12(10)8-17-15(3,4)5)21-14-16-9-20(6)19-14/h7,9,17H,8H2,1-6H3
InChIKeySIGRBQNIVGKKQK-UHFFFAOYSA-N
XLogP2.51
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 106597923) is N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1cc(C)c(CNC(C)(C)C)c(Oc2ncn(C)n2)n1.
What is the InChIKey of N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SIGRBQNIVGKKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-7-11(2)18-13(12(10)8-17-15(3,4)5)21-14-16-9-20(6)19-14/h7,9,17H,8H2,1-6H3.
What are the key properties of N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106597923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).