1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine

C12H20N6O — CID 106570013

IUPAC1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
SMILESCOCCCn1ccnc1NC(C)c1nncn1C
InChIInChI=1S/C12H20N6O/c1-10(11-16-14-9-17(11)2)15-12-13-5-7-18(12)6-4-8-19-3/h5,7,9-10H,4,6,8H2,1-3H3,(H,13,15)
InChIKeyQAQRDRYVHBQNLI-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.22
Rot. Bonds7

About 1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine

1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine (PubChem CID 106570013) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
PubChem CID106570013
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
SMILESCOCCCn1ccnc1NC(C)c1nncn1C
InChIInChI=1S/C12H20N6O/c1-10(11-16-14-9-17(11)2)15-12-13-5-7-18(12)6-4-8-19-3/h5,7,9-10H,4,6,8H2,1-3H3,(H,13,15)
InChIKeyQAQRDRYVHBQNLI-UHFFFAOYSA-N
XLogP1.22
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine
CID 106561963
N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106570460
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561717
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
1-(3-methoxypropyl)-N-(2-methylcyclopropyl)imidazol-2-amine
CID 106571163
1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106555590
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558814
N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283
1-(2-methoxyethyl)-N-(4-methylhexan-2-yl)imidazol-2-amine
CID 106574023
N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106554175
N-(1-methoxypropan-2-yl)-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572044

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine (CID 106570013) is 1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine is COCCCn1ccnc1NC(C)c1nncn1C.
What is the InChIKey of 1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
The InChIKey is QAQRDRYVHBQNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-10(11-16-14-9-17(11)2)15-12-13-5-7-18(12)6-4-8-19-3/h5,7,9-10H,4,6,8H2,1-3H3,(H,13,15).
What are the key properties of 1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine?
1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine has a molecular weight of 264.33 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106570013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).