[2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine

C6H11FN4 — CID 84650765

IUPAC[2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(F)Cn1ncnc1CN
InChIInChI=1S/C6H11FN4/c1-5(7)3-11-6(2-8)9-4-10-11/h4-5H,2-3,8H2,1H3
InChIKeyCRYQPVQIPZSAFY-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.09
Rot. Bonds3

About [2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine

[2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 84650765) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is [2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID84650765
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name[2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(F)Cn1ncnc1CN
InChIInChI=1S/C6H11FN4/c1-5(7)3-11-6(2-8)9-4-10-11/h4-5H,2-3,8H2,1H3
InChIKeyCRYQPVQIPZSAFY-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406934
1,1-difluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-one
CID 112574058
[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 105408699
[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine
CID 80602977
1-amino-2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66038636
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
CID 81011154
[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 114531647
[3-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-yl]hydrazine
CID 105317619
2-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-amine
CID 81202383
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine (CID 84650765) is [2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine is CC(F)Cn1ncnc1CN.
What is the InChIKey of [2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is CRYQPVQIPZSAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-5(7)3-11-6(2-8)9-4-10-11/h4-5H,2-3,8H2,1H3.
What are the key properties of [2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine?
[2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 158.18 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 84650765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).