1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine

C7H13FN4 — CID 80696919

IUPAC1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1CCF
InChIInChI=1S/C7H13FN4/c1-5(2)6-7(9)10-11-12(6)4-3-8/h5H,3-4,9H2,1-2H3
InChIKeyIPRCSBRIDWLUKR-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.95
Rot. Bonds3

About 1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine

1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine (PubChem CID 80696919) has the molecular formula C7H13FN4 and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine
PubChem CID80696919
Molecular FormulaC7H13FN4
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1CCF
InChIInChI=1S/C7H13FN4/c1-5(2)6-7(9)10-11-12(6)4-3-8/h5H,3-4,9H2,1-2H3
InChIKeyIPRCSBRIDWLUKR-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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Related Compounds

5-cyclopropyl-1-methyl-1H-1,2,3-triazol-4-amine
CID 79547588
4-Amino-3,5-diethyl-triazole
CID 105428156
2-(2-Fluoroethyl)-5-propan-2-yltriazol-4-amine
CID 146214440
4-tert-butyl-1-methyl-1H-1,2,3-triazol-5-amine
CID 14114324
5-Ethyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79542049
1-(2,2-Difluoroethyl)-5-methyltriazol-4-amine
CID 79542115
5-Tert-butyl-1-(2,2,2-trifluoroethyl)triazol-4-amine
CID 79542190
5-Methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79542212
5-Propyl-1-(2,2,2-trifluoroethyl)triazol-4-amine
CID 79542372
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine
CID 79542449
1-(2,2-Difluoroethyl)-5-propan-2-yltriazol-4-amine
CID 79542458
5-Propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
CID 79542461

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine (CID 80696919) is 1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine is CC(C)c1c(N)nnn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine?
The InChIKey is IPRCSBRIDWLUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4/c1-5(2)6-7(9)10-11-12(6)4-3-8/h5H,3-4,9H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine?
1-(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 1-(2-fluoroethyl)-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 80696919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).