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

C12H17N5 — CID 103003367

IUPAC4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine
SMILESCN(CCc1ccnn1C)c1ccncc1N
InChIInChI=1S/C12H17N5/c1-16(12-4-6-14-9-11(12)13)8-5-10-3-7-15-17(10)2/h3-4,6-7,9H,5,8,13H2,1-2H3
InChIKeyOMSOAHISDBJZRI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.08
Rot. Bonds4

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

4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine (PubChem CID 103003367) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine
PubChem CID103003367
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine
SMILESCN(CCc1ccnn1C)c1ccncc1N
InChIInChI=1S/C12H17N5/c1-16(12-4-6-14-9-11(12)13)8-5-10-3-7-15-17(10)2/h3-4,6-7,9H,5,8,13H2,1-2H3
InChIKeyOMSOAHISDBJZRI-UHFFFAOYSA-N
XLogP1.08
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]benzoic acid
CID 103003376
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414
2-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,2-diamine
CID 103015452
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
CID 79356009
4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile
CID 61358059
1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one
CID 61358443
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine
CID 54956565
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
CID 116616296
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 103015253
4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine (CID 103003367) is 4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine is CN(CCc1ccnn1C)c1ccncc1N.
What is the InChIKey of 4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine?
The InChIKey is OMSOAHISDBJZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16(12-4-6-14-9-11(12)13)8-5-10-3-7-15-17(10)2/h3-4,6-7,9H,5,8,13H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine?
4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 103003367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).