1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol

C14H26N4O — CID 141424900

IUPAC1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol
SMILESCCNC1CCCC(c2nncn2CC(C)(C)O)C1
InChIInChI=1S/C14H26N4O/c1-4-15-12-7-5-6-11(8-12)13-17-16-10-18(13)9-14(2,3)19/h10-12,15,19H,4-9H2,1-3H3
InChIKeyLDELBMFLYRMIGW-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.68
Rot. Bonds5

About 1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol

1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol (PubChem CID 141424900) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol
PubChem CID141424900
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol
SMILESCCNC1CCCC(c2nncn2CC(C)(C)O)C1
InChIInChI=1S/C14H26N4O/c1-4-15-12-7-5-6-11(8-12)13-17-16-10-18(13)9-14(2,3)19/h10-12,15,19H,4-9H2,1-3H3
InChIKeyLDELBMFLYRMIGW-UHFFFAOYSA-N
XLogP1.68
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 62694486
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CID 95363086
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CID 169838372

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol (CID 141424900) is 1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol is CCNC1CCCC(c2nncn2CC(C)(C)O)C1.
What is the InChIKey of 1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol?
The InChIKey is LDELBMFLYRMIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-15-12-7-5-6-11(8-12)13-17-16-10-18(13)9-14(2,3)19/h10-12,15,19H,4-9H2,1-3H3.
What are the key properties of 1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol?
1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 141424900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).