5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine

C19H19N7O — CID 29029235

IUPAC5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
SMILESCC(C)c1noc(-c2ccc(NCc3ccc(-n4cncn4)cc3)nc2)n1
InChIInChI=1S/C19H19N7O/c1-13(2)18-24-19(27-25-18)15-5-8-17(22-10-15)21-9-14-3-6-16(7-4-14)26-12-20-11-23-26/h3-8,10-13H,9H2,1-2H3,(H,21,22)
InChIKeyMGZZRWXOBTTZPP-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.45
Rot. Bonds6

About 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine

5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine (PubChem CID 29029235) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
PubChem CID29029235
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
SMILESCC(C)c1noc(-c2ccc(NCc3ccc(-n4cncn4)cc3)nc2)n1
InChIInChI=1S/C19H19N7O/c1-13(2)18-24-19(27-25-18)15-5-8-17(22-10-15)21-9-14-3-6-16(7-4-14)26-12-20-11-23-26/h3-8,10-13H,9H2,1-2H3,(H,21,22)
InChIKeyMGZZRWXOBTTZPP-UHFFFAOYSA-N
XLogP3.45
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 53037152
3,5-dimethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline
CID 87011517
2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine
CID 58333445
N-ethyl-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]ethanamine
CID 166203852
N-[(4-methoxyphenyl)methyl]-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489805
1-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 97241929
N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide
CID 167755430
5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
CID 75498235
5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 53353088
(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 95273102
4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine
CID 133407138
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 46823094

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine (CID 29029235) is 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine is CC(C)c1noc(-c2ccc(NCc3ccc(-n4cncn4)cc3)nc2)n1.
What is the InChIKey of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine?
The InChIKey is MGZZRWXOBTTZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-13(2)18-24-19(27-25-18)15-5-8-17(22-10-15)21-9-14-3-6-16(7-4-14)26-12-20-11-23-26/h3-8,10-13H,9H2,1-2H3,(H,21,22).
What are the key properties of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine?
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine has a molecular weight of 361.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 29029235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).