[1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol

C9H16N4O — CID 79645487

IUPAC[1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol
SMILESCNC1(CO)CCC(n2cncn2)C1
InChIInChI=1S/C9H16N4O/c1-10-9(5-14)3-2-8(4-9)13-7-11-6-12-13/h6-8,10,14H,2-5H2,1H3
InChIKeyCWRDZJFJRGEFIZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.05
Rot. Bonds3

About [1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol

[1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol (PubChem CID 79645487) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol
PubChem CID79645487
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol
SMILESCNC1(CO)CCC(n2cncn2)C1
InChIInChI=1S/C9H16N4O/c1-10-9(5-14)3-2-8(4-9)13-7-11-6-12-13/h6-8,10,14H,2-5H2,1H3
InChIKeyCWRDZJFJRGEFIZ-UHFFFAOYSA-N
XLogP-0.05
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol?
The IUPAC name of [1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol (CID 79645487) is [1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol is CNC1(CO)CCC(n2cncn2)C1.
What is the InChIKey of [1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol?
The InChIKey is CWRDZJFJRGEFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-10-9(5-14)3-2-8(4-9)13-7-11-6-12-13/h6-8,10,14H,2-5H2,1H3.
What are the key properties of [1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol?
[1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol has a molecular weight of 196.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol is sourced from PubChem (CID 79645487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).