3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide

C9H16FN5 — CID 118890836

IUPAC3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide
SMILESC/N=C(\CCF)N(C)Cc1cn(C)nn1
InChIInChI=1S/C9H16FN5/c1-11-9(4-5-10)14(2)6-8-7-15(3)13-12-8/h7H,4-6H2,1-3H3/b11-9+
InChIKeyAGDBMCOLTXGNCF-PKNBQFBNSA-N
MW213.26 g/mol
LogP0.63
Rot. Bonds4

About 3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide

3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide (PubChem CID 118890836) has the molecular formula C9H16FN5 and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide
PubChem CID118890836
Molecular FormulaC9H16FN5
Molecular Weight213.26 g/mol
Exact Mass213.14
IUPAC Name3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide
SMILESC/N=C(\CCF)N(C)Cc1cn(C)nn1
InChIInChI=1S/C9H16FN5/c1-11-9(4-5-10)14(2)6-8-7-15(3)13-12-8/h7H,4-6H2,1-3H3/b11-9+
InChIKeyAGDBMCOLTXGNCF-PKNBQFBNSA-N
XLogP0.63
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine
CID 155544230
N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
CID 68333475
1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine
CID 81111092
N-[[1-[2-[bis(2-azidoethyl)amino]ethyl]triazol-4-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine
CID 102395316
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62426250
N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62426485
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62426486
N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62426487
N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine
CID 62426806
N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine
CID 62426807
N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62426808
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62427024

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide?
The IUPAC name of 3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide (CID 118890836) is 3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide.
What is the SMILES notation for 3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide?
The canonical SMILES for 3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide is C/N=C(\CCF)N(C)Cc1cn(C)nn1.
What is the InChIKey of 3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide?
The InChIKey is AGDBMCOLTXGNCF-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H16FN5/c1-11-9(4-5-10)14(2)6-8-7-15(3)13-12-8/h7H,4-6H2,1-3H3/b11-9+.
What are the key properties of 3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide?
3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide has a molecular weight of 213.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N'-dimethyl-N-[(1-methyltriazol-4-yl)methyl]propanimidamide is sourced from PubChem (CID 118890836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).