N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine

C7H11F2N5 — CID 130645848

IUPACN-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCC(F)(F)C1CC1
InChIInChI=1S/C7H11F2N5/c1-14-6(11-12-13-14)10-4-7(8,9)5-2-3-5/h5H,2-4H2,1H3,(H,10,11,13)
InChIKeyPEEBGRJAZGTJAW-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.67
Rot. Bonds4

About N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine

N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine (PubChem CID 130645848) has the molecular formula C7H11F2N5 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine
PubChem CID130645848
Molecular FormulaC7H11F2N5
Molecular Weight203.20 g/mol
Exact Mass203.10
IUPAC NameN-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCC(F)(F)C1CC1
InChIInChI=1S/C7H11F2N5/c1-14-6(11-12-13-14)10-4-7(8,9)5-2-3-5/h5H,2-4H2,1H3,(H,10,11,13)
InChIKeyPEEBGRJAZGTJAW-UHFFFAOYSA-N
XLogP0.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine?
The IUPAC name of N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine (CID 130645848) is N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine.
What is the SMILES notation for N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine?
The canonical SMILES for N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine is Cn1nnnc1NCC(F)(F)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine?
The InChIKey is PEEBGRJAZGTJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N5/c1-14-6(11-12-13-14)10-4-7(8,9)5-2-3-5/h5H,2-4H2,1H3,(H,10,11,13).
What are the key properties of N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine?
N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine has a molecular weight of 203.20 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2,2-difluoroethyl)-1-methyltetrazol-5-amine is sourced from PubChem (CID 130645848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).