1-(3-fluoropropyl)-5-methyltriazol-4-amine

C6H11FN4 — CID 81110241

IUPAC1-(3-fluoropropyl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1CCCF
InChIInChI=1S/C6H11FN4/c1-5-6(8)9-10-11(5)4-2-3-7/h2-4,8H2,1H3
InChIKeyKZTKKNQIMPRCBK-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.53
Rot. Bonds3

About 1-(3-fluoropropyl)-5-methyltriazol-4-amine

1-(3-fluoropropyl)-5-methyltriazol-4-amine (PubChem CID 81110241) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-5-methyltriazol-4-amine
PubChem CID81110241
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name1-(3-fluoropropyl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1CCCF
InChIInChI=1S/C6H11FN4/c1-5-6(8)9-10-11(5)4-2-3-7/h2-4,8H2,1H3
InChIKeyKZTKKNQIMPRCBK-UHFFFAOYSA-N
XLogP0.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-5-methyltriazol-4-amine?
The IUPAC name of 1-(3-fluoropropyl)-5-methyltriazol-4-amine (CID 81110241) is 1-(3-fluoropropyl)-5-methyltriazol-4-amine.
What is the SMILES notation for 1-(3-fluoropropyl)-5-methyltriazol-4-amine?
The canonical SMILES for 1-(3-fluoropropyl)-5-methyltriazol-4-amine is Cc1c(N)nnn1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-5-methyltriazol-4-amine?
The InChIKey is KZTKKNQIMPRCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-5-6(8)9-10-11(5)4-2-3-7/h2-4,8H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-5-methyltriazol-4-amine?
1-(3-fluoropropyl)-5-methyltriazol-4-amine has a molecular weight of 158.18 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-5-methyltriazol-4-amine is sourced from PubChem (CID 81110241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).