5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine

C11H15N5O — CID 170305659

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine
SMILESCc1noc(-c2cnc(N)cc2NC(C)C)n1
InChIInChI=1S/C11H15N5O/c1-6(2)14-9-4-10(12)13-5-8(9)11-15-7(3)16-17-11/h4-6H,1-3H3,(H3,12,13,14)
InChIKeyFJTNGBKJWHSHMX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.84
Rot. Bonds3

About 5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine

5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine (PubChem CID 170305659) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine
PubChem CID170305659
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine
SMILESCc1noc(-c2cnc(N)cc2NC(C)C)n1
InChIInChI=1S/C11H15N5O/c1-6(2)14-9-4-10(12)13-5-8(9)11-15-7(3)16-17-11/h4-6H,1-3H3,(H3,12,13,14)
InChIKeyFJTNGBKJWHSHMX-UHFFFAOYSA-N
XLogP1.84
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine
CID 170305579
2-N-benzyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine
CID 170305584
N-(1,1-difluoropropan-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 102868329
3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 63021546
5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
CID 170993654
3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 135319537
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 28529083
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpentan-3-yl)aniline
CID 43779863
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43678243
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60841655
N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441440
N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678235

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine (CID 170305659) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine is Cc1noc(-c2cnc(N)cc2NC(C)C)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine?
The InChIKey is FJTNGBKJWHSHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-6(2)14-9-4-10(12)13-5-8(9)11-15-7(3)16-17-11/h4-6H,1-3H3,(H3,12,13,14).
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine has a molecular weight of 233.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine is sourced from PubChem (CID 170305659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).