4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine

C11H15N5O — CID 114185489

IUPAC4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NCc2ncon2)ccn1
InChIInChI=1S/C11H15N5O/c1-2-4-12-10-6-9(3-5-13-10)14-7-11-15-8-17-16-11/h3,5-6,8H,2,4,7H2,1H3,(H2,12,13,14)
InChIKeyRCQOWVAXBJYSSQ-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.90
Rot. Bonds6

About 4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine

4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine (PubChem CID 114185489) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine
PubChem CID114185489
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NCc2ncon2)ccn1
InChIInChI=1S/C11H15N5O/c1-2-4-12-10-6-9(3-5-13-10)14-7-11-15-8-17-16-11/h3,5-6,8H,2,4,7H2,1H3,(H2,12,13,14)
InChIKeyRCQOWVAXBJYSSQ-UHFFFAOYSA-N
XLogP1.90
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408880
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106402979
2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine
CID 106393331
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-4-amine
CID 106404416
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-propylpyridine-2,4-diamine
CID 113367699
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583
2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106412170
4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106402960
6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411776
N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 106408427
6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403520

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine (CID 114185489) is 4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine is CCCNc1cc(NCc2ncon2)ccn1.
What is the InChIKey of 4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine?
The InChIKey is RCQOWVAXBJYSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-4-12-10-6-9(3-5-13-10)14-7-11-15-8-17-16-11/h3,5-6,8H,2,4,7H2,1H3,(H2,12,13,14).
What are the key properties of 4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine?
4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine has a molecular weight of 233.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 114185489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).