N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine

C9H11ClN6 — CID 65033100

IUPACN-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESClC(CNc1cncc2nnnn12)C1CC1
InChIInChI=1S/C9H11ClN6/c10-7(6-1-2-6)3-12-8-4-11-5-9-13-14-15-16(8)9/h4-7,12H,1-3H2
InChIKeyBJPQWXDNLNDJPK-UHFFFAOYSA-N
MW238.68 g/mol
LogP0.95
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine

N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 65033100) has the molecular formula C9H11ClN6 and a molecular weight of 238.68 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID65033100
Molecular FormulaC9H11ClN6
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC NameN-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESClC(CNc1cncc2nnnn12)C1CC1
InChIInChI=1S/C9H11ClN6/c10-7(6-1-2-6)3-12-8-4-11-5-9-13-14-15-16(8)9/h4-7,12H,1-3H2
InChIKeyBJPQWXDNLNDJPK-UHFFFAOYSA-N
XLogP0.95
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine (CID 65033100) is N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine is ClC(CNc1cncc2nnnn12)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is BJPQWXDNLNDJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6/c10-7(6-1-2-6)3-12-8-4-11-5-9-13-14-15-16(8)9/h4-7,12H,1-3H2.
What are the key properties of N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine?
N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 238.68 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 65033100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).