[3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine

C12H15ClN4 — CID 62288804

IUPAC[3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine
SMILESCc1nn(-c2ccc(Cl)c(CN)n2)c(C)c1C
InChIInChI=1S/C12H15ClN4/c1-7-8(2)16-17(9(7)3)12-5-4-10(13)11(6-14)15-12/h4-5H,6,14H2,1-3H3
InChIKeyUJAWLUHGOHTZBU-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.30
Rot. Bonds2

About [3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine

[3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine (PubChem CID 62288804) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is [3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine
PubChem CID62288804
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name[3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine
SMILESCc1nn(-c2ccc(Cl)c(CN)n2)c(C)c1C
InChIInChI=1S/C12H15ClN4/c1-7-8(2)16-17(9(7)3)12-5-4-10(13)11(6-14)15-12/h4-5H,6,14H2,1-3H3
InChIKeyUJAWLUHGOHTZBU-UHFFFAOYSA-N
XLogP2.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine (CID 62288804) is [3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine is Cc1nn(-c2ccc(Cl)c(CN)n2)c(C)c1C.
What is the InChIKey of [3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine?
The InChIKey is UJAWLUHGOHTZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-7-8(2)16-17(9(7)3)12-5-4-10(13)11(6-14)15-12/h4-5H,6,14H2,1-3H3.
What are the key properties of [3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine?
[3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine has a molecular weight of 250.73 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62288804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).