N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C9H13N5O — CID 63080882

IUPACN-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C9H13N5O/c1-3-6(10-2)8-13-14-9(15-8)7-4-5-11-12-7/h4-6,10H,3H2,1-2H3,(H,11,12)
InChIKeyYJQFBMJPZVVZET-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.13
Rot. Bonds4

About N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 63080882) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID63080882
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(-c2ccn[nH]2)o1
InChIInChI=1S/C9H13N5O/c1-3-6(10-2)8-13-14-9(15-8)7-4-5-11-12-7/h4-6,10H,3H2,1-2H3,(H,11,12)
InChIKeyYJQFBMJPZVVZET-UHFFFAOYSA-N
XLogP1.13
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 63080882) is N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(NC)c1nnc(-c2ccn[nH]2)o1.
What is the InChIKey of N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is YJQFBMJPZVVZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-6(10-2)8-13-14-9(15-8)7-4-5-11-12-7/h4-6,10H,3H2,1-2H3,(H,11,12).
What are the key properties of N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 63080882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).