(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine

C20H22N6 — CID 97108873

IUPAC(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
SMILESCC(C)[C@H](NCc1ccn(-c2ccccc2)n1)c1nnc2ccccn12
InChIInChI=1S/C20H22N6/c1-15(2)19(20-23-22-18-10-6-7-12-25(18)20)21-14-16-11-13-26(24-16)17-8-4-3-5-9-17/h3-13,15,19,21H,14H2,1-2H3/t19-/m0/s1
InChIKeyIRFRMCBJNGPGMW-IBGZPJMESA-N
MW346.44 g/mol
LogP3.40
Rot. Bonds6

About (1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine

(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine (PubChem CID 97108873) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is (1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
PubChem CID97108873
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
SMILESCC(C)[C@H](NCc1ccn(-c2ccccc2)n1)c1nnc2ccccn12
InChIInChI=1S/C20H22N6/c1-15(2)19(20-23-22-18-10-6-7-12-25(18)20)21-14-16-11-13-26(24-16)17-8-4-3-5-9-17/h3-13,15,19,21H,14H2,1-2H3/t19-/m0/s1
InChIKeyIRFRMCBJNGPGMW-IBGZPJMESA-N
XLogP3.40
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide
CID 103908798
3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one
CID 146145013
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
2-methyl-3-[(1-phenylpyrazol-3-yl)methylamino]butan-1-ol
CID 115897847
(1S)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 97211230
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 75419226
2-methoxy-5-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]phenol
CID 56823178
N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62884999
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 75380780
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
N-[(1-phenylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 106225141

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine (CID 97108873) is (1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine is CC(C)[C@H](NCc1ccn(-c2ccccc2)n1)c1nnc2ccccn12.
What is the InChIKey of (1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
The InChIKey is IRFRMCBJNGPGMW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N6/c1-15(2)19(20-23-22-18-10-6-7-12-25(18)20)21-14-16-11-13-26(24-16)17-8-4-3-5-9-17/h3-13,15,19,21H,14H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine has a molecular weight of 346.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine is sourced from PubChem (CID 97108873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).