2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine

C6H12N4O2 — CID 103436460

IUPAC2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOCC(C)Nc1nnc(N)o1
InChIInChI=1S/C6H12N4O2/c1-4(3-11-2)8-6-10-9-5(7)12-6/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyBZDWGEOPQRQMNB-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.10
Rot. Bonds4

About 2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436460) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436460
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOCC(C)Nc1nnc(N)o1
InChIInChI=1S/C6H12N4O2/c1-4(3-11-2)8-6-10-9-5(7)12-6/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyBZDWGEOPQRQMNB-UHFFFAOYSA-N
XLogP0.10
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 103437052
2-N-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 105923802
2-[(5-Amino-1,3,4-oxadiazol-2-yl)amino]ethanol
CID 69341697
N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 126994493
2-N-propan-2-yl-1,3,4-oxadiazole-2,5-diamine
CID 55290530
2-N-(2-ethoxyethyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436427
2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine
CID 103436545
2-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436566
2-N-(3-methoxypropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436612
5-(3-Methylmorpholin-4-yl)-1,3,4-oxadiazol-2-amine
CID 103436666
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103436732
2-N-(1-methoxypropan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
CID 103436741

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103436460) is 2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine is COCC(C)Nc1nnc(N)o1.
What is the InChIKey of 2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is BZDWGEOPQRQMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-4(3-11-2)8-6-10-9-5(7)12-6/h4H,3H2,1-2H3,(H2,7,9)(H,8,10).
What are the key properties of 2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 172.19 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).