(1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone

C9H13N3O2 — CID 130602609

IUPAC(1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)C2(O)CCCC2)nn1
InChIInChI=1S/C9H13N3O2/c1-12-6-7(10-11-12)8(13)9(14)4-2-3-5-9/h6,14H,2-5H2,1H3
InChIKeyXIPOGSSVHWMDMZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.30
Rot. Bonds2

About (1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone

(1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone (PubChem CID 130602609) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone
PubChem CID130602609
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)C2(O)CCCC2)nn1
InChIInChI=1S/C9H13N3O2/c1-12-6-7(10-11-12)8(13)9(14)4-2-3-5-9/h6,14H,2-5H2,1H3
InChIKeyXIPOGSSVHWMDMZ-UHFFFAOYSA-N
XLogP0.30
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylcyclopropyl)-1-(1-methyltriazol-4-yl)ethanone
CID 130802994
ethane;1-(1-methyltriazol-4-yl)ethanone
CID 142493960
2,2-difluoro-1-(1-methyltriazol-4-yl)propan-1-one
CID 130757123
(2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone
CID 130905526
(1-hydroxycyclopentyl)-(2-methylpyrazol-3-yl)methanone
CID 103447816
(1-hydroxycyclohexyl)-(3-methyltriazol-4-yl)methanone
CID 103449684
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
N-(2-acetamidoethyl)-1-methyltriazole-4-carboxamide
CID 110691590
[1-(dimethylamino)cyclopentyl]-(1-methylpyrazol-3-yl)methanone
CID 103130453
1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062760

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone?
The IUPAC name of (1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone (CID 130602609) is (1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for (1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for (1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone is Cn1cc(C(=O)C2(O)CCCC2)nn1.
What is the InChIKey of (1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone?
The InChIKey is XIPOGSSVHWMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-6-7(10-11-12)8(13)9(14)4-2-3-5-9/h6,14H,2-5H2,1H3.
What are the key properties of (1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone?
(1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone has a molecular weight of 195.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130602609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).