5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole

C9H14FN3 — CID 146511988

IUPAC5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole
SMILESCc1nc(C2(F)CC2)n(C(C)C)n1
InChIInChI=1S/C9H14FN3/c1-6(2)13-8(9(10)4-5-9)11-7(3)12-13/h6H,4-5H2,1-3H3
InChIKeyMTYGUAXICRRLBN-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.13
Rot. Bonds2

About 5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole

5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole (PubChem CID 146511988) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole
PubChem CID146511988
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole
SMILESCc1nc(C2(F)CC2)n(C(C)C)n1
InChIInChI=1S/C9H14FN3/c1-6(2)13-8(9(10)4-5-9)11-7(3)12-13/h6H,4-5H2,1-3H3
InChIKeyMTYGUAXICRRLBN-UHFFFAOYSA-N
XLogP2.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole (CID 146511988) is 5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole is Cc1nc(C2(F)CC2)n(C(C)C)n1.
What is the InChIKey of 5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole?
The InChIKey is MTYGUAXICRRLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-6(2)13-8(9(10)4-5-9)11-7(3)12-13/h6H,4-5H2,1-3H3.
What are the key properties of 5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole?
5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole has a molecular weight of 183.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 146511988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).