1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine

C9H13N5O — CID 43559159

IUPAC1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1ncon1
InChIInChI=1S/C9H13N5O/c1-5-7(6(2)14(3)12-5)8(10)9-11-4-15-13-9/h4,8H,10H2,1-3H3
InChIKeyUSZNQSZWPFTPKE-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.47
Rot. Bonds2

About 1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine

1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 43559159) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID43559159
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1ncon1
InChIInChI=1S/C9H13N5O/c1-5-7(6(2)14(3)12-5)8(10)9-11-4-15-13-9/h4,8H,10H2,1-3H3
InChIKeyUSZNQSZWPFTPKE-UHFFFAOYSA-N
XLogP0.47
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 75498183
[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559996
(1,5-Dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 79583533
(1,3-Dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 83091773
3-(4-Chloro-1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole
CID 89147275
5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole
CID 170601986
(5-Methyl-1,2,4-oxadiazol-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559291
(5-Ethyl-1,2,4-oxadiazol-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559420
(5-Propyl-1,2,4-oxadiazol-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559544
(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559662
(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559780
(5-Tert-butyl-1,2,4-oxadiazol-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559889

Frequently Asked Questions

What is the IUPAC name of 1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of 1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 43559159) is 1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for 1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1nn(C)c(C)c1C(N)c1ncon1.
What is the InChIKey of 1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is USZNQSZWPFTPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5-7(6(2)14(3)12-5)8(10)9-11-4-15-13-9/h4,8H,10H2,1-3H3.
What are the key properties of 1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 207.24 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43559159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).