1-(1-fluorotriazol-4-yl)-N-methylmethanamine

C4H7FN4 — CID 154682366

IUPAC1-(1-fluorotriazol-4-yl)-N-methylmethanamine
SMILESCNCc1cn(F)nn1
InChIInChI=1S/C4H7FN4/c1-6-2-4-3-9(5)8-7-4/h3,6H,2H2,1H3
InChIKeyWSUCBOSEQXDWBJ-UHFFFAOYSA-N
MW130.13 g/mol
LogP-0.27
Rot. Bonds2

About 1-(1-fluorotriazol-4-yl)-N-methylmethanamine

1-(1-fluorotriazol-4-yl)-N-methylmethanamine (PubChem CID 154682366) has the molecular formula C4H7FN4 and a molecular weight of 130.13 g/mol. Its IUPAC name is 1-(1-fluorotriazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-fluorotriazol-4-yl)-N-methylmethanamine
PubChem CID154682366
Molecular FormulaC4H7FN4
Molecular Weight130.13 g/mol
Exact Mass130.07
IUPAC Name1-(1-fluorotriazol-4-yl)-N-methylmethanamine
SMILESCNCc1cn(F)nn1
InChIInChI=1S/C4H7FN4/c1-6-2-4-3-9(5)8-7-4/h3,6H,2H2,1H3
InChIKeyWSUCBOSEQXDWBJ-UHFFFAOYSA-N
XLogP-0.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methyl-1H-1,2,3-triazol-5-YL)methanamine
CID 55262944
(1-ethyl-1H-1,2,3-triazol-5-yl)methanamine
CID 72214389
1-(1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride
CID 110209505
methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine hydrochloride
CID 122156619
ethyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 62755740
methyl[(1H-1,2,3-triazol-5-yl)methyl]amine
CID 53800752
methyl((1H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 119106308
N,N-dimethyl-1-(2H-triazol-4-yl)methanamine
CID 54206485
methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 55211101
N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]ethanamine
CID 80698065
1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine
CID 81111092
4,4,4-trifluoro-N-(2H-triazol-4-ylmethyl)butan-1-amine
CID 141530376

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorotriazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-fluorotriazol-4-yl)-N-methylmethanamine (CID 154682366) is 1-(1-fluorotriazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-fluorotriazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-fluorotriazol-4-yl)-N-methylmethanamine is CNCc1cn(F)nn1.
What is the InChIKey of 1-(1-fluorotriazol-4-yl)-N-methylmethanamine?
The InChIKey is WSUCBOSEQXDWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN4/c1-6-2-4-3-9(5)8-7-4/h3,6H,2H2,1H3.
What are the key properties of 1-(1-fluorotriazol-4-yl)-N-methylmethanamine?
1-(1-fluorotriazol-4-yl)-N-methylmethanamine has a molecular weight of 130.13 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorotriazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 154682366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).