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

C9H13N5O — CID 572880

IUPACN-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine
SMILESCc1cc(C)n(CNc2nonc2C)n1
InChIInChI=1S/C9H13N5O/c1-6-4-7(2)14(11-6)5-10-9-8(3)12-15-13-9/h4H,5H2,1-3H3,(H,10,13)
InChIKeyMKYBTAQIUUEIQU-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.26
Rot. Bonds3

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

N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine (PubChem CID 572880) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine
PubChem CID572880
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine
SMILESCc1cc(C)n(CNc2nonc2C)n1
InChIInChI=1S/C9H13N5O/c1-6-4-7(2)14(11-6)5-10-9-8(3)12-15-13-9/h4H,5H2,1-3H3,(H,10,13)
InChIKeyMKYBTAQIUUEIQU-UHFFFAOYSA-N
XLogP1.26
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine?
The IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine (CID 572880) is N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine?
The canonical SMILES for N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine is Cc1cc(C)n(CNc2nonc2C)n1.
What is the InChIKey of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine?
The InChIKey is MKYBTAQIUUEIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-4-7(2)14(11-6)5-10-9-8(3)12-15-13-9/h4H,5H2,1-3H3,(H,10,13).
What are the key properties of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine?
N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine has a molecular weight of 207.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 572880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).