ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol

C10H21N3O — CID 170610061

IUPACethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol
SMILESCC.CC(C)c1cn(CCCO)nn1
InChIInChI=1S/C8H15N3O.C2H6/c1-7(2)8-6-11(10-9-8)4-3-5-12;1-2/h6-7,12H,3-5H2,1-2H3;1-2H3
InChIKeyYZLSGUDTJGWECB-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.81
Rot. Bonds4

About ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol

ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol (PubChem CID 170610061) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol.

Molecular Properties

Compound Nameethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol
PubChem CID170610061
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Nameethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol
SMILESCC.CC(C)c1cn(CCCO)nn1
InChIInChI=1S/C8H15N3O.C2H6/c1-7(2)8-6-11(10-9-8)4-3-5-12;1-2/h6-7,12H,3-5H2,1-2H3;1-2H3
InChIKeyYZLSGUDTJGWECB-UHFFFAOYSA-N
XLogP1.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propan-2-yltriazol-1-yl)butanoic acid
CID 164942263
ethyl 4-(4-propan-2-yltriazol-1-yl)butanoate
CID 164942287
2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
CID 66269341
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
(4-propan-2-yltriazol-1-yl)methylphosphane
CID 59576295
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
1-(1-pentyltriazol-4-yl)ethanol
CID 81444188
2-[2-(dimethylamino)ethylamino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetamide
CID 66268955
1-hexyl-4-(3-methylbutan-2-yl)triazole
CID 135219454
2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
CID 66269528
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol?
The IUPAC name of ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol (CID 170610061) is ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol.
What is the SMILES notation for ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol?
The canonical SMILES for ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol is CC.CC(C)c1cn(CCCO)nn1.
What is the InChIKey of ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol?
The InChIKey is YZLSGUDTJGWECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.C2H6/c1-7(2)8-6-11(10-9-8)4-3-5-12;1-2/h6-7,12H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol?
ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol has a molecular weight of 199.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol is sourced from PubChem (CID 170610061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).