N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine

C6H9F2N5 — CID 130610138

IUPACN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1N[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C6H9F2N5/c1-13-6(10-11-12-13)9-4-2-3(4)5(7)8/h3-5H,2H2,1H3,(H,9,10,12)/t3-,4-/m0/s1
InChIKeyQRPVRZSWIYHEQU-IMJSIDKUSA-N
MW189.17 g/mol
LogP0.28
Rot. Bonds3

About N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine

N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine (PubChem CID 130610138) has the molecular formula C6H9F2N5 and a molecular weight of 189.17 g/mol. Its IUPAC name is N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine
PubChem CID130610138
Molecular FormulaC6H9F2N5
Molecular Weight189.17 g/mol
Exact Mass189.08
IUPAC NameN-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1N[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C6H9F2N5/c1-13-6(10-11-12-13)9-4-2-3(4)5(7)8/h3-5H,2H2,1H3,(H,9,10,12)/t3-,4-/m0/s1
InChIKeyQRPVRZSWIYHEQU-IMJSIDKUSA-N
XLogP0.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine (CID 130610138) is N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine is Cn1nnnc1N[C@H]1C[C@@H]1C(F)F.
What is the InChIKey of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine?
The InChIKey is QRPVRZSWIYHEQU-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H9F2N5/c1-13-6(10-11-12-13)9-4-2-3(4)5(7)8/h3-5H,2H2,1H3,(H,9,10,12)/t3-,4-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine?
N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine has a molecular weight of 189.17 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 130610138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).