N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine

C12H17N5O — CID 54927196

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncccc1CNCc1nnc(C)n1C
InChIInChI=1S/C12H17N5O/c1-9-15-16-11(17(9)2)8-13-7-10-5-4-6-14-12(10)18-3/h4-6,13H,7-8H2,1-3H3
InChIKeyNNKZQKAQEUYKBX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.82
Rot. Bonds5

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine (PubChem CID 54927196) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
PubChem CID54927196
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncccc1CNCc1nnc(C)n1C
InChIInChI=1S/C12H17N5O/c1-9-15-16-11(17(9)2)8-13-7-10-5-4-6-14-12(10)18-3/h4-6,13H,7-8H2,1-3H3
InChIKeyNNKZQKAQEUYKBX-UHFFFAOYSA-N
XLogP0.82
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine with MolForge

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Related Compounds

1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 107914372
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 106302541
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180399
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine (CID 54927196) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine is COc1ncccc1CNCc1nnc(C)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The InChIKey is NNKZQKAQEUYKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-15-16-11(17(9)2)8-13-7-10-5-4-6-14-12(10)18-3/h4-6,13H,7-8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine has a molecular weight of 247.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 54927196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).