1-heptan-4-yl-4-(methoxymethyl)triazole

C11H21N3O — CID 123549643

IUPAC1-heptan-4-yl-4-(methoxymethyl)triazole
SMILESCCCC(CCC)n1cc(COC)nn1
InChIInChI=1S/C11H21N3O/c1-4-6-11(7-5-2)14-8-10(9-15-3)12-13-14/h8,11H,4-7,9H2,1-3H3
InChIKeyMBTUAMOLOZMDBB-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.57
Rot. Bonds7

About 1-heptan-4-yl-4-(methoxymethyl)triazole

1-heptan-4-yl-4-(methoxymethyl)triazole (PubChem CID 123549643) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-heptan-4-yl-4-(methoxymethyl)triazole.

Molecular Properties

Compound Name1-heptan-4-yl-4-(methoxymethyl)triazole
PubChem CID123549643
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-heptan-4-yl-4-(methoxymethyl)triazole
SMILESCCCC(CCC)n1cc(COC)nn1
InChIInChI=1S/C11H21N3O/c1-4-6-11(7-5-2)14-8-10(9-15-3)12-13-14/h8,11H,4-7,9H2,1-3H3
InChIKeyMBTUAMOLOZMDBB-UHFFFAOYSA-N
XLogP2.57
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Octyltriazol-4-yl)methanol
CID 62401462
5-(methoxymethyl)-1-methyl-1H-1,2,3-triazole
CID 58602891
4-(4,5-dihydrooxazol-2-yl)-1-hexyl-1H-1,2,3-triazole
CID 44445272
4-(4,5-dihydrooxazol-2-yl)-1-heptyl-1H-1,2,3-triazole
CID 44445273
(1-Decyltriazol-4-yl)methanol
CID 62402210
(1-Tridecyltriazol-4-yl)methanol
CID 129909356
(1-Heptyl-1H-1,2,3-triazol-4-yl)methanol
CID 12654355
(3-Methyl-1-nonyltriazol-1-ium-4-yl)methyl acetate
CID 177655562
4-(Ethoxymethyl)-1-ethyltriazole
CID 13230240
4-(methoxymethyl)-1-methyl-1H-1,2,3-triazole
CID 59518209
(1-Hexyl-1h-1,2,3-triazol-4-yl)methanol
CID 62401837
1-ethyl-4-(methoxymethyl)-1H-1,2,3-triazole
CID 91565422

Frequently Asked Questions

What is the IUPAC name of 1-heptan-4-yl-4-(methoxymethyl)triazole?
The IUPAC name of 1-heptan-4-yl-4-(methoxymethyl)triazole (CID 123549643) is 1-heptan-4-yl-4-(methoxymethyl)triazole.
What is the SMILES notation for 1-heptan-4-yl-4-(methoxymethyl)triazole?
The canonical SMILES for 1-heptan-4-yl-4-(methoxymethyl)triazole is CCCC(CCC)n1cc(COC)nn1.
What is the InChIKey of 1-heptan-4-yl-4-(methoxymethyl)triazole?
The InChIKey is MBTUAMOLOZMDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-11(7-5-2)14-8-10(9-15-3)12-13-14/h8,11H,4-7,9H2,1-3H3.
What are the key properties of 1-heptan-4-yl-4-(methoxymethyl)triazole?
1-heptan-4-yl-4-(methoxymethyl)triazole has a molecular weight of 211.31 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-4-yl-4-(methoxymethyl)triazole is sourced from PubChem (CID 123549643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).