N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline

C19H20N6 — CID 71968034

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
SMILESCCn1cc(CNc2ccc(Cc3nnc4ccccn34)cc2)cn1
InChIInChI=1S/C19H20N6/c1-2-24-14-16(13-21-24)12-20-17-8-6-15(7-9-17)11-19-23-22-18-5-3-4-10-25(18)19/h3-10,13-14,20H,2,11-12H2,1H3
InChIKeyHZRSSSAAIWMLJW-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.15
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline

N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline (PubChem CID 71968034) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
PubChem CID71968034
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
SMILESCCn1cc(CNc2ccc(Cc3nnc4ccccn34)cc2)cn1
InChIInChI=1S/C19H20N6/c1-2-24-14-16(13-21-24)12-20-17-8-6-15(7-9-17)11-19-23-22-18-5-3-4-10-25(18)19/h3-10,13-14,20H,2,11-12H2,1H3
InChIKeyHZRSSSAAIWMLJW-UHFFFAOYSA-N
XLogP3.15
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline (CID 71968034) is N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline is CCn1cc(CNc2ccc(Cc3nnc4ccccn34)cc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline?
The InChIKey is HZRSSSAAIWMLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-24-14-16(13-21-24)12-20-17-8-6-15(7-9-17)11-19-23-22-18-5-3-4-10-25(18)19/h3-10,13-14,20H,2,11-12H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline?
N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline has a molecular weight of 332.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 71968034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).