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

C11H11N7O — CID 115528737

IUPAC(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCn1cc(C(N)c2nc(-c3ccncn3)no2)cn1
InChIInChI=1S/C11H11N7O/c1-18-5-7(4-15-18)9(12)11-16-10(17-19-11)8-2-3-13-6-14-8/h2-6,9H,12H2,1H3
InChIKeyKTGLLBLQURKXKN-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.31
Rot. Bonds3

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

(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 115528737) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID115528737
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCn1cc(C(N)c2nc(-c3ccncn3)no2)cn1
InChIInChI=1S/C11H11N7O/c1-18-5-7(4-15-18)9(12)11-16-10(17-19-11)8-2-3-13-6-14-8/h2-6,9H,12H2,1H3
InChIKeyKTGLLBLQURKXKN-UHFFFAOYSA-N
XLogP0.31
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1-methylpyrazol-4-yl)-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 113279655
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 115531419
[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288859
(R)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832490
(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832487
[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 107915209
[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 103083370
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116808077
[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288850
[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116704110

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of (1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 115528737) is (1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for (1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine is Cn1cc(C(N)c2nc(-c3ccncn3)no2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is KTGLLBLQURKXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c1-18-5-7(4-15-18)9(12)11-16-10(17-19-11)8-2-3-13-6-14-8/h2-6,9H,12H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine?
(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 257.26 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 115528737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).