6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine

C12H17N5 — CID 81131882

IUPAC6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCc2cnn(C)c2)n1
InChIInChI=1S/C12H17N5/c1-9-3-4-11(13)12(16-9)14-6-5-10-7-15-17(2)8-10/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyWZZCRHJIQGAMQM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.36
Rot. Bonds4

About 6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine

6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine (PubChem CID 81131882) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
PubChem CID81131882
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCc2cnn(C)c2)n1
InChIInChI=1S/C12H17N5/c1-9-3-4-11(13)12(16-9)14-6-5-10-7-15-17(2)8-10/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyWZZCRHJIQGAMQM-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

6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 80681081
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine
CID 81131482
5-N-[2-(1-methylpyrazol-4-yl)ethyl]isoquinoline-5,8-diamine
CID 80680760
6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
CID 81133138
6-(cyclopropylmethoxy)-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 80685641
3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 80681228
ethyl 4-amino-3-[2-(1-methylpyrazol-4-yl)ethylamino]benzoate
CID 82778103
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597
6-N,5-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991956
6-N-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 80681156

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine (CID 81131882) is 6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine is Cc1ccc(N)c(NCCc2cnn(C)c2)n1.
What is the InChIKey of 6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is WZZCRHJIQGAMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-3-4-11(13)12(16-9)14-6-5-10-7-15-17(2)8-10/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,16).
What are the key properties of 6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
6-methyl-2-N-[2-(1-methylpyrazol-4-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 6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 81131882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).