3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine

C6H12FN5 — CID 127004654

IUPAC3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCC(CN)C(F)c1nnn(C)n1
InChIInChI=1S/C6H12FN5/c1-4(3-8)5(7)6-9-11-12(2)10-6/h4-5H,3,8H2,1-2H3
InChIKeyLAUVDAVVRFWHFF-UHFFFAOYSA-N
MW173.19 g/mol
LogP-0.18
Rot. Bonds3

About 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine

3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 127004654) has the molecular formula C6H12FN5 and a molecular weight of 173.19 g/mol. Its IUPAC name is 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID127004654
Molecular FormulaC6H12FN5
Molecular Weight173.19 g/mol
Exact Mass173.11
IUPAC Name3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCC(CN)C(F)c1nnn(C)n1
InChIInChI=1S/C6H12FN5/c1-4(3-8)5(7)6-9-11-12(2)10-6/h4-5H,3,8H2,1-2H3
InChIKeyLAUVDAVVRFWHFF-UHFFFAOYSA-N
XLogP-0.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol
CID 165446658
2-amino-1-(2-methyltetrazol-5-yl)propan-1-ol
CID 84650561
2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 178134660
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107052807
2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol
CID 130758214
2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 107054322
methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate
CID 127004730
(2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine
CID 131181790
3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol
CID 130892425
2-(2-ethyltetrazol-5-yl)propan-1-amine
CID 84763606
5-(3-chloro-2-methylbutyl)-2-methyltetrazole
CID 107052382
2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 131162810

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 127004654) is 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine is CC(CN)C(F)c1nnn(C)n1.
What is the InChIKey of 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is LAUVDAVVRFWHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN5/c1-4(3-8)5(7)6-9-11-12(2)10-6/h4-5H,3,8H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 173.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 127004654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).