N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine

C14H18N6O — CID 153382387

IUPACN'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine
SMILESCC(C)n1ncc2ccc(-c3noc(NCCN)n3)cc21
InChIInChI=1S/C14H18N6O/c1-9(2)20-12-7-10(3-4-11(12)8-17-20)13-18-14(21-19-13)16-6-5-15/h3-4,7-9H,5-6,15H2,1-2H3,(H,16,18,19)
InChIKeyOWKKMOXBKZMSOX-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.04
Rot. Bonds5

About N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine

N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine (PubChem CID 153382387) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine
PubChem CID153382387
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine
SMILESCC(C)n1ncc2ccc(-c3noc(NCCN)n3)cc21
InChIInChI=1S/C14H18N6O/c1-9(2)20-12-7-10(3-4-11(12)8-17-20)13-18-14(21-19-13)16-6-5-15/h3-4,7-9H,5-6,15H2,1-2H3,(H,16,18,19)
InChIKeyOWKKMOXBKZMSOX-UHFFFAOYSA-N
XLogP2.04
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine (CID 153382387) is N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine is CC(C)n1ncc2ccc(-c3noc(NCCN)n3)cc21.
What is the InChIKey of N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine?
The InChIKey is OWKKMOXBKZMSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9(2)20-12-7-10(3-4-11(12)8-17-20)13-18-14(21-19-13)16-6-5-15/h3-4,7-9H,5-6,15H2,1-2H3,(H,16,18,19).
What are the key properties of N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine?
N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine has a molecular weight of 286.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 153382387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).