4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine

C10H14N6O2 — CID 82874162

IUPAC4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2ccn(C)n2)nc(OC)n1
InChIInChI=1S/C10H14N6O2/c1-16-5-4-7(15-16)6-11-8-12-9(17-2)14-10(13-8)18-3/h4-5H,6H2,1-3H3,(H,11,12,13,14)
InChIKeyGQNHAIWJFNIXBU-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.23
Rot. Bonds5

About 4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine

4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 82874162) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID82874162
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2ccn(C)n2)nc(OC)n1
InChIInChI=1S/C10H14N6O2/c1-16-5-4-7(15-16)6-11-8-12-9(17-2)14-10(13-8)18-3/h4-5H,6H2,1-3H3,(H,11,12,13,14)
InChIKeyGQNHAIWJFNIXBU-UHFFFAOYSA-N
XLogP0.23
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]pyrazin-2-amine
CID 155403134
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 104925117
2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
CID 167947742
2-chloro-5-methoxy-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867022
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270
6-methyl-N-[(1-methylpyrazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82872735
6-chloro-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82873713
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 82873661

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine (CID 82874162) is 4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine is COc1nc(NCc2ccn(C)n2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is GQNHAIWJFNIXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-16-5-4-7(15-16)6-11-8-12-9(17-2)14-10(13-8)18-3/h4-5H,6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 250.26 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 82874162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).