3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol

C13H24N4O — CID 79358090

IUPAC3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol
SMILESCC1(C)C(NCc2cn(CCCO)nn2)C1(C)C
InChIInChI=1S/C13H24N4O/c1-12(2)11(13(12,3)4)14-8-10-9-17(16-15-10)6-5-7-18/h9,11,14,18H,5-8H2,1-4H3
InChIKeyLLZWDHOLZHNMAH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds6

About 3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 79358090) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol
PubChem CID79358090
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol
SMILESCC1(C)C(NCc2cn(CCCO)nn2)C1(C)C
InChIInChI=1S/C13H24N4O/c1-12(2)11(13(12,3)4)14-8-10-9-17(16-15-10)6-5-7-18/h9,11,14,18H,5-8H2,1-4H3
InChIKeyLLZWDHOLZHNMAH-UHFFFAOYSA-N
XLogP1.18
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[4-[(2-adamantylamino)methyl]triazol-1-yl]propan-1-ol
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3-(4-ethyltriazol-1-yl)propan-1-ol
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3-[4-[[(1,1-dioxothian-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66268350
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol (CID 79358090) is 3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol is CC1(C)C(NCc2cn(CCCO)nn2)C1(C)C.
What is the InChIKey of 3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is LLZWDHOLZHNMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-12(2)11(13(12,3)4)14-8-10-9-17(16-15-10)6-5-7-18/h9,11,14,18H,5-8H2,1-4H3.
What are the key properties of 3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 79358090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).