N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine

C10H15N5O — CID 80689704

IUPACN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCc1nonc1CNCCc1cnn(C)c1
InChIInChI=1S/C10H15N5O/c1-8-10(14-16-13-8)6-11-4-3-9-5-12-15(2)7-9/h5,7,11H,3-4,6H2,1-2H3
InChIKeyZKHRNESMZPABQL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.44
Rot. Bonds5

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

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 80689704) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID80689704
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCc1nonc1CNCCc1cnn(C)c1
InChIInChI=1S/C10H15N5O/c1-8-10(14-16-13-8)6-11-4-3-9-5-12-15(2)7-9/h5,7,11H,3-4,6H2,1-2H3
InChIKeyZKHRNESMZPABQL-UHFFFAOYSA-N
XLogP0.44
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80688741
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059
2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 112730158
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
N-[(2,6-difluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730093
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730058
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
4-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenol
CID 61238205
N-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115747364
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 80685838
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400351

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine (CID 80689704) is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine is Cc1nonc1CNCCc1cnn(C)c1.
What is the InChIKey of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is ZKHRNESMZPABQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8-10(14-16-13-8)6-11-4-3-9-5-12-15(2)7-9/h5,7,11H,3-4,6H2,1-2H3.
What are the key properties of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine?
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 221.26 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 80689704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).