3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine

C6H10F3N5 — CID 107042396

IUPAC3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine
SMILESCn1nnc(CNCCC(F)(F)F)n1
InChIInChI=1S/C6H10F3N5/c1-14-12-5(11-13-14)4-10-3-2-6(7,8)9/h10H,2-4H2,1H3
InChIKeyDDPCZLLISZPVPR-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.25
Rot. Bonds4

About 3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine

3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine (PubChem CID 107042396) has the molecular formula C6H10F3N5 and a molecular weight of 209.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine
PubChem CID107042396
Molecular FormulaC6H10F3N5
Molecular Weight209.17 g/mol
Exact Mass209.09
IUPAC Name3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine
SMILESCn1nnc(CNCCC(F)(F)F)n1
InChIInChI=1S/C6H10F3N5/c1-14-12-5(11-13-14)4-10-3-2-6(7,8)9/h10H,2-4H2,1H3
InChIKeyDDPCZLLISZPVPR-UHFFFAOYSA-N
XLogP0.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine (CID 107042396) is 3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine is Cn1nnc(CNCCC(F)(F)F)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine?
The InChIKey is DDPCZLLISZPVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5/c1-14-12-5(11-13-14)4-10-3-2-6(7,8)9/h10H,2-4H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine has a molecular weight of 209.17 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 107042396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).