4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine

C12H17N5 — CID 65195778

IUPAC4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)c1cnn(C)c1
InChIInChI=1S/C12H17N5/c1-14-11(10-7-16-17(2)8-10)5-9-3-4-15-12(13)6-9/h3-4,6-8,11,14H,5H2,1-2H3,(H2,13,15)
InChIKeyYNLNQMOIBVVEIG-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.90
Rot. Bonds4

About 4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine

4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 65195778) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
PubChem CID65195778
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)c1cnn(C)c1
InChIInChI=1S/C12H17N5/c1-14-11(10-7-16-17(2)8-10)5-9-3-4-15-12(13)6-9/h3-4,6-8,11,14H,5H2,1-2H3,(H2,13,15)
InChIKeyYNLNQMOIBVVEIG-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 66425232
N-methyl-1-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824383
N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485902
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 106792047
N-[2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62902240
4-(2-hydrazinylpropyl)pyridin-2-amine
CID 105201271
4-(2-hydrazinyl-2-pyrimidin-2-ylethyl)pyridin-2-amine
CID 105203672
1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethanamine
CID 62551755
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79750179

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine (CID 65195778) is 4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine is CNC(Cc1ccnc(N)c1)c1cnn(C)c1.
What is the InChIKey of 4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is YNLNQMOIBVVEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-14-11(10-7-16-17(2)8-10)5-9-3-4-15-12(13)6-9/h3-4,6-8,11,14H,5H2,1-2H3,(H2,13,15).
What are the key properties of 4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 65195778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).