N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine

C10H14N6O — CID 66194576

IUPACN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCc1nc(Cn2cc(CNC3CC3)nn2)no1
InChIInChI=1S/C10H14N6O/c1-7-12-10(14-17-7)6-16-5-9(13-15-16)4-11-8-2-3-8/h5,8,11H,2-4,6H2,1H3
InChIKeyMJTPVCBWYMPCGJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.27
Rot. Bonds5

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

N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66194576) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66194576
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCc1nc(Cn2cc(CNC3CC3)nn2)no1
InChIInChI=1S/C10H14N6O/c1-7-12-10(14-17-7)6-16-5-9(13-15-16)4-11-8-2-3-8/h5,8,11H,2-4,6H2,1H3
InChIKeyMJTPVCBWYMPCGJ-UHFFFAOYSA-N
XLogP0.27
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol
CID 62402205
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194558
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66194236
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192447
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192057
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194508
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419523
N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66194383
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (CID 66194576) is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is Cc1nc(Cn2cc(CNC3CC3)nn2)no1.
What is the InChIKey of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is MJTPVCBWYMPCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-7-12-10(14-17-7)6-16-5-9(13-15-16)4-11-8-2-3-8/h5,8,11H,2-4,6H2,1H3.
What are the key properties of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 234.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66194576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).