(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine

C15H18N6 — CID 95273102

IUPAC(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
SMILESC[C@@H](Cn1cccn1)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H18N6/c1-13(10-20-8-2-7-18-20)17-9-14-3-5-15(6-4-14)21-12-16-11-19-21/h2-8,11-13,17H,9-10H2,1H3/t13-/m0/s1
InChIKeySKAIHPZSFIKNIX-ZDUSSCGKSA-N
MW282.35 g/mol
LogP1.64
Rot. Bonds6

About (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine

(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 95273102) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
PubChem CID95273102
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
SMILESC[C@@H](Cn1cccn1)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H18N6/c1-13(10-20-8-2-7-18-20)17-9-14-3-5-15(6-4-14)21-12-16-11-19-21/h2-8,11-13,17H,9-10H2,1H3/t13-/m0/s1
InChIKeySKAIHPZSFIKNIX-ZDUSSCGKSA-N
XLogP1.64
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 86854994
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973
N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 115595990
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43791881
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295878
N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 105378336

Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine (CID 95273102) is (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine is C[C@@H](Cn1cccn1)NCc1ccc(-n2cncn2)cc1.
What is the InChIKey of (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is SKAIHPZSFIKNIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N6/c1-13(10-20-8-2-7-18-20)17-9-14-3-5-15(6-4-14)21-12-16-11-19-21/h2-8,11-13,17H,9-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine?
(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 282.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 95273102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).