2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

C10H20N4O — CID 102698035

IUPAC2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCCCn1ncnc1CNCC(C)OC
InChIInChI=1S/C10H20N4O/c1-4-5-14-10(12-8-13-14)7-11-6-9(2)15-3/h8-9,11H,4-7H2,1-3H3
InChIKeyJHIZQACPOAXPMY-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.81
Rot. Bonds7

About 2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (PubChem CID 102698035) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
PubChem CID102698035
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCCCn1ncnc1CNCC(C)OC
InChIInChI=1S/C10H20N4O/c1-4-5-14-10(12-8-13-14)7-11-6-9(2)15-3/h8-9,11H,4-7H2,1-3H3
InChIKeyJHIZQACPOAXPMY-UHFFFAOYSA-N
XLogP0.81
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 102698021
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
N-[[2-(4-methoxybutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 104649613
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
2-methyl-N-[[2-(2-propylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 106730602
4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106841860
3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79616250
6-bromo-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
CID 107844546
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720070
N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 105003061

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (CID 102698035) is 2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is CCCn1ncnc1CNCC(C)OC.
What is the InChIKey of 2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The InChIKey is JHIZQACPOAXPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-5-14-10(12-8-13-14)7-11-6-9(2)15-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102698035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).