N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine

C9H13N5O — CID 106371812

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCc1cnc(CNCc2ncnn2C)o1
InChIInChI=1S/C9H13N5O/c1-7-3-11-9(15-7)5-10-4-8-12-6-13-14(8)2/h3,6,10H,4-5H2,1-2H3
InChIKeyZOZWIVKLJRRZOW-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.40
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 106371812) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID106371812
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCc1cnc(CNCc2ncnn2C)o1
InChIInChI=1S/C9H13N5O/c1-7-3-11-9(15-7)5-10-4-8-12-6-13-14(8)2/h3,6,10H,4-5H2,1-2H3
InChIKeyZOZWIVKLJRRZOW-UHFFFAOYSA-N
XLogP0.40
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine with MolForge

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Related Compounds

1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103738791
1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180368
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
1-(furan-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275486
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096833
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 106416470
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyrazin-2-ylmethanamine
CID 106370109
2,2-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-1-ol
CID 115359975
1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275502
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine (CID 106371812) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine is Cc1cnc(CNCc2ncnn2C)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is ZOZWIVKLJRRZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-7-3-11-9(15-7)5-10-4-8-12-6-13-14(8)2/h3,6,10H,4-5H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 207.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 106371812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).