5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine

C9H17FN4 — CID 81110447

IUPAC5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCCF
InChIInChI=1S/C9H17FN4/c1-9(2,3)7-8(11)12-13-14(7)6-4-5-10/h4-6,11H2,1-3H3
InChIKeyCLSKNFPVXMLDTP-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.52
Rot. Bonds3

About 5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine

5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine (PubChem CID 81110447) has the molecular formula C9H17FN4 and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine
PubChem CID81110447
Molecular FormulaC9H17FN4
Molecular Weight200.26 g/mol
Exact Mass200.14
IUPAC Name5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCCF
InChIInChI=1S/C9H17FN4/c1-9(2,3)7-8(11)12-13-14(7)6-4-5-10/h4-6,11H2,1-3H3
InChIKeyCLSKNFPVXMLDTP-UHFFFAOYSA-N
XLogP1.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine (CID 81110447) is 5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine is CC(C)(C)c1c(N)nnn1CCCF.
What is the InChIKey of 5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine?
The InChIKey is CLSKNFPVXMLDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN4/c1-9(2,3)7-8(11)12-13-14(7)6-4-5-10/h4-6,11H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine?
5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine has a molecular weight of 200.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(3-fluoropropyl)triazol-4-amine is sourced from PubChem (CID 81110447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).