5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine

C12H17N5 — CID 106104117

IUPAC5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
SMILESCc1cnc(NCCc2ccn(C)n2)c(N)c1
InChIInChI=1S/C12H17N5/c1-9-7-11(13)12(15-8-9)14-5-3-10-4-6-17(2)16-10/h4,6-8H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyBRQKLSDCJNMYIY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.36
Rot. Bonds4

About 5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine

5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine (PubChem CID 106104117) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
PubChem CID106104117
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
SMILESCc1cnc(NCCc2ccn(C)n2)c(N)c1
InChIInChI=1S/C12H17N5/c1-9-7-11(13)12(15-8-9)14-5-3-10-4-6-17(2)16-10/h4,6-8H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyBRQKLSDCJNMYIY-UHFFFAOYSA-N
XLogP1.36
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
CID 114143843
5-methyl-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278222
5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 80681081
3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 114144034
2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
CID 66280404
6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853
2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143844
5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278017
2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530
3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 106106127

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine (CID 106104117) is 5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine is Cc1cnc(NCCc2ccn(C)n2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is BRQKLSDCJNMYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-7-11(13)12(15-8-9)14-5-3-10-4-6-17(2)16-10/h4,6-8H,3,5,13H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 106104117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).