2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine

C7H13FN4 — CID 146214440

IUPAC2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1nn(CCF)nc1N
InChIInChI=1S/C7H13FN4/c1-5(2)6-7(9)11-12(10-6)4-3-8/h5H,3-4H2,1-2H3,(H2,9,11)
InChIKeyOXRXVCMNCHVJDY-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.95
Rot. Bonds3

About 2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine

2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine (PubChem CID 146214440) has the molecular formula C7H13FN4 and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine
PubChem CID146214440
Molecular FormulaC7H13FN4
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1nn(CCF)nc1N
InChIInChI=1S/C7H13FN4/c1-5(2)6-7(9)11-12(10-6)4-3-8/h5H,3-4H2,1-2H3,(H2,9,11)
InChIKeyOXRXVCMNCHVJDY-UHFFFAOYSA-N
XLogP0.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine?
The IUPAC name of 2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine (CID 146214440) is 2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine is CC(C)c1nn(CCF)nc1N.
What is the InChIKey of 2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine?
The InChIKey is OXRXVCMNCHVJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4/c1-5(2)6-7(9)11-12(10-6)4-3-8/h5H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of 2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine?
2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine has a molecular weight of 172.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 146214440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).