N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine

C11H15ClN6 — CID 65029563

IUPACN-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESClC1CCCCC1CNc1cncc2nnnn12
InChIInChI=1S/C11H15ClN6/c12-9-4-2-1-3-8(9)5-14-10-6-13-7-11-15-16-17-18(10)11/h6-9,14H,1-5H2
InChIKeyCZAUIGMGLLDNFD-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.73
Rot. Bonds3

About N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine

N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 65029563) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID65029563
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC NameN-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESClC1CCCCC1CNc1cncc2nnnn12
InChIInChI=1S/C11H15ClN6/c12-9-4-2-1-3-8(9)5-14-10-6-13-7-11-15-16-17-18(10)11/h6-9,14H,1-5H2
InChIKeyCZAUIGMGLLDNFD-UHFFFAOYSA-N
XLogP1.73
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.73
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-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine (CID 65029563) is N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine is ClC1CCCCC1CNc1cncc2nnnn12.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is CZAUIGMGLLDNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c12-9-4-2-1-3-8(9)5-14-10-6-13-7-11-15-16-17-18(10)11/h6-9,14H,1-5H2.
What are the key properties of N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 266.74 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 65029563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).