1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol

C13H24N4O — CID 55202674

IUPAC1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol
SMILESCn1cnnc1CCNCC1(O)CCCCCC1
InChIInChI=1S/C13H24N4O/c1-17-11-15-16-12(17)6-9-14-10-13(18)7-4-2-3-5-8-13/h11,14,18H,2-10H2,1H3
InChIKeyUDALYKTYZHVJQO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.03
Rot. Bonds5

About 1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol

1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 55202674) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID55202674
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol
SMILESCn1cnnc1CCNCC1(O)CCCCCC1
InChIInChI=1S/C13H24N4O/c1-17-11-15-16-12(17)6-9-14-10-13(18)7-4-2-3-5-8-13/h11,14,18H,2-10H2,1H3
InChIKeyUDALYKTYZHVJQO-UHFFFAOYSA-N
XLogP1.03
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 62117715
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332560
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol
CID 79355147
1-carbamothioyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 80591373
N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 63332293
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 81168802
1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 103882321
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 63332608
2,2-dimethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63696017

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol (CID 55202674) is 1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol is Cn1cnnc1CCNCC1(O)CCCCCC1.
What is the InChIKey of 1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is UDALYKTYZHVJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-17-11-15-16-12(17)6-9-14-10-13(18)7-4-2-3-5-8-13/h11,14,18H,2-10H2,1H3.
What are the key properties of 1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol?
1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 55202674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).