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

C7H9N5O — CID 95936360

IUPAC[4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine
SMILESCc1cn[nH]c1-c1nonc1CN
InChIInChI=1S/C7H9N5O/c1-4-3-9-10-6(4)7-5(2-8)11-13-12-7/h3H,2,8H2,1H3,(H,9,10)
InChIKeyXBCRXDODHXPQFW-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.23
Rot. Bonds2

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

[4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine (PubChem CID 95936360) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is [4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine
PubChem CID95936360
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name[4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine
SMILESCc1cn[nH]c1-c1nonc1CN
InChIInChI=1S/C7H9N5O/c1-4-3-9-10-6(4)7-5(2-8)11-13-12-7/h3H,2,8H2,1H3,(H,9,10)
InChIKeyXBCRXDODHXPQFW-UHFFFAOYSA-N
XLogP0.23
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine?
The IUPAC name of [4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine (CID 95936360) is [4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine?
The canonical SMILES for [4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine is Cc1cn[nH]c1-c1nonc1CN.
What is the InChIKey of [4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine?
The InChIKey is XBCRXDODHXPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-4-3-9-10-6(4)7-5(2-8)11-13-12-7/h3H,2,8H2,1H3,(H,9,10).
What are the key properties of [4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine?
[4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine has a molecular weight of 179.18 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1H-pyrazol-5-yl)-1,2,5-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 95936360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).