(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol

C11H19N3O — CID 107005461

IUPAC(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)C1CC1(C)C
InChIInChI=1S/C11H19N3O/c1-4-5-14-9(7-12-13-14)10(15)8-6-11(8,2)3/h7-8,10,15H,4-6H2,1-3H3
InChIKeyKGPCBQRXFSRBIO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds4

About (2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol

(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol (PubChem CID 107005461) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
PubChem CID107005461
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)C1CC1(C)C
InChIInChI=1S/C11H19N3O/c1-4-5-14-9(7-12-13-14)10(15)8-6-11(8,2)3/h7-8,10,15H,4-6H2,1-3H3
InChIKeyKGPCBQRXFSRBIO-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol
CID 115834042
(3-propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105127137
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 107190904
2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
CID 114684988
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
(1-piperidin-1-ylcyclopentyl)-(3-propyltriazol-4-yl)methanol
CID 114686588

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol (CID 107005461) is (2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)C1CC1(C)C.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is KGPCBQRXFSRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-14-9(7-12-13-14)10(15)8-6-11(8,2)3/h7-8,10,15H,4-6H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol?
(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 209.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 107005461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).