N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine

C5H7F2N5 — CID 164653268

IUPACN-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine
SMILESFC(F)C1(Nc2nn[nH]n2)CC1
InChIInChI=1S/C5H7F2N5/c6-3(7)5(1-2-5)8-4-9-11-12-10-4/h3H,1-2H2,(H2,8,9,10,11,12)
InChIKeyBMGIDAGCCHRXNR-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.41
Rot. Bonds3

About N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine

N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine (PubChem CID 164653268) has the molecular formula C5H7F2N5 and a molecular weight of 175.14 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine
PubChem CID164653268
Molecular FormulaC5H7F2N5
Molecular Weight175.14 g/mol
Exact Mass175.07
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine
SMILESFC(F)C1(Nc2nn[nH]n2)CC1
InChIInChI=1S/C5H7F2N5/c6-3(7)5(1-2-5)8-4-9-11-12-10-4/h3H,1-2H2,(H2,8,9,10,11,12)
InChIKeyBMGIDAGCCHRXNR-UHFFFAOYSA-N
XLogP0.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

n-(1-Methylcyclopropyl)-2h-1,2,3,4-tetrazol-5-amine
CID 164652522

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine (CID 164653268) is N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine is FC(F)C1(Nc2nn[nH]n2)CC1.
What is the InChIKey of N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine?
The InChIKey is BMGIDAGCCHRXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N5/c6-3(7)5(1-2-5)8-4-9-11-12-10-4/h3H,1-2H2,(H2,8,9,10,11,12).
What are the key properties of N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine?
N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine has a molecular weight of 175.14 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopropyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 164653268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).