2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine

C9H18N4O — CID 103160298

IUPAC2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCOC(CN)Cc1nncn1C(C)C
InChIInChI=1S/C9H18N4O/c1-7(2)13-6-11-12-9(13)4-8(5-10)14-3/h6-8H,4-5,10H2,1-3H3
InChIKeySMXCSWIUHBXVMK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.38
Rot. Bonds5

About 2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine

2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 103160298) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID103160298
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCOC(CN)Cc1nncn1C(C)C
InChIInChI=1S/C9H18N4O/c1-7(2)13-6-11-12-9(13)4-8(5-10)14-3/h6-8H,4-5,10H2,1-3H3
InChIKeySMXCSWIUHBXVMK-UHFFFAOYSA-N
XLogP0.38
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160297
1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 62696425
3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine
CID 103160303
4-propan-2-yl-3-(2,3,3-trimethylbutyl)-1,2,4-triazole
CID 115393954
1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 115891137
2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115876465
1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 64672298
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methoxy]acetic acid
CID 62696237
2-amino-3-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide;dihydrochloride
CID 119878830
2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160292
4-propan-2-yl-1,2,4-triazol-3-amine
CID 62695120
4-chloro-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]aniline
CID 62695467

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine (CID 103160298) is 2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine is COC(CN)Cc1nncn1C(C)C.
What is the InChIKey of 2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is SMXCSWIUHBXVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-7(2)13-6-11-12-9(13)4-8(5-10)14-3/h6-8H,4-5,10H2,1-3H3.
What are the key properties of 2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine?
2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 198.27 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 103160298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).