1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol

C14H26N4O — CID 115970110

IUPAC1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol
SMILESCC(C)Cn1ncnc1CN(C)CC1(O)CCCC1
InChIInChI=1S/C14H26N4O/c1-12(2)8-18-13(15-11-16-18)9-17(3)10-14(19)6-4-5-7-14/h11-12,19H,4-10H2,1-3H3
InChIKeySAKRUERFRMZQCJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.67
Rot. Bonds6

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

1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol (PubChem CID 115970110) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol
PubChem CID115970110
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol
SMILESCC(C)Cn1ncnc1CN(C)CC1(O)CCCC1
InChIInChI=1S/C14H26N4O/c1-12(2)8-18-13(15-11-16-18)9-17(3)10-14(19)6-4-5-7-14/h11-12,19H,4-10H2,1-3H3
InChIKeySAKRUERFRMZQCJ-UHFFFAOYSA-N
XLogP1.67
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

(3S)-3-ethyl-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-ol
CID 171359129
(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 70048125
1-[1-(Pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclohexan-1-ol
CID 4255667
1-[2-(Pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclohexan-1-ol
CID 14491418
1-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 53588754
(3S*,4R*)-3-ethyl-1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 56744192
1-[[(4-Methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 62119006
1-[[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65111287
1-[[2-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65211002
1-[[(4-Methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65211052
1-[[1-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65211102
1-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol
CID 65212577

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol (CID 115970110) is 1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol is CC(C)Cn1ncnc1CN(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is SAKRUERFRMZQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12(2)8-18-13(15-11-16-18)9-17(3)10-14(19)6-4-5-7-14/h11-12,19H,4-10H2,1-3H3.
What are the key properties of 1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol?
1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115970110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).