[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine

C9H15FN4 — CID 126982005

IUPAC[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)(F)c1nnc(CN)n1C1CC1
InChIInChI=1S/C9H15FN4/c1-9(2,10)8-13-12-7(5-11)14(8)6-3-4-6/h6H,3-5,11H2,1-2H3
InChIKeyPARIDSJMQOVXGY-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.28
Rot. Bonds3

About [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine

[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 126982005) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine
PubChem CID126982005
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)(F)c1nnc(CN)n1C1CC1
InChIInChI=1S/C9H15FN4/c1-9(2,10)8-13-12-7(5-11)14(8)6-3-4-6/h6H,3-5,11H2,1-2H3
InChIKeyPARIDSJMQOVXGY-UHFFFAOYSA-N
XLogP1.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine (CID 126982005) is [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine is CC(C)(F)c1nnc(CN)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is PARIDSJMQOVXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-9(2,10)8-13-12-7(5-11)14(8)6-3-4-6/h6H,3-5,11H2,1-2H3.
What are the key properties of [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine?
[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 198.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 126982005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).