1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine

C9H13N5O — CID 114419645

IUPAC1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
SMILESCc1ocnc1Cn1cc(C(C)N)nn1
InChIInChI=1S/C9H13N5O/c1-6(10)8-3-14(13-12-8)4-9-7(2)15-5-11-9/h3,5-6H,4,10H2,1-2H3
InChIKeyMMTHEUQMTMPXRG-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.64
Rot. Bonds3

About 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine

1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 114419645) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
PubChem CID114419645
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
SMILESCc1ocnc1Cn1cc(C(C)N)nn1
InChIInChI=1S/C9H13N5O/c1-6(10)8-3-14(13-12-8)4-9-7(2)15-5-11-9/h3,5-6H,4,10H2,1-2H3
InChIKeyMMTHEUQMTMPXRG-UHFFFAOYSA-N
XLogP0.64
TPSA82.76 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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229354
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419523
1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine
CID 114419873
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
3-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107460628
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419762
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine (CID 114419645) is 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine is Cc1ocnc1Cn1cc(C(C)N)nn1.
What is the InChIKey of 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is MMTHEUQMTMPXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6(10)8-3-14(13-12-8)4-9-7(2)15-5-11-9/h3,5-6H,4,10H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine?
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 207.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 114419645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).