[5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine

C7H13FN4 — CID 83855069

IUPAC[5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine
SMILESCn1nnc(CN)c1C(C)(C)F
InChIInChI=1S/C7H13FN4/c1-7(2,8)6-5(4-9)10-11-12(6)3/h4,9H2,1-3H3
InChIKeyVYIQWGIJZSQUDR-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.48
Rot. Bonds2

About [5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine

[5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine (PubChem CID 83855069) has the molecular formula C7H13FN4 and a molecular weight of 172.21 g/mol. Its IUPAC name is [5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine
PubChem CID83855069
Molecular FormulaC7H13FN4
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name[5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine
SMILESCn1nnc(CN)c1C(C)(C)F
InChIInChI=1S/C7H13FN4/c1-7(2,8)6-5(4-9)10-11-12(6)3/h4,9H2,1-3H3
InChIKeyVYIQWGIJZSQUDR-UHFFFAOYSA-N
XLogP0.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine?
The IUPAC name of [5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine (CID 83855069) is [5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine is Cn1nnc(CN)c1C(C)(C)F.
What is the InChIKey of [5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine?
The InChIKey is VYIQWGIJZSQUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4/c1-7(2,8)6-5(4-9)10-11-12(6)3/h4,9H2,1-3H3.
What are the key properties of [5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine?
[5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine has a molecular weight of 172.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 83855069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).