N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine

C11H9ClN6 — CID 60981108

IUPACN-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESClc1ccc(CNc2cncc3nnnn23)cc1
InChIInChI=1S/C11H9ClN6/c12-9-3-1-8(2-4-9)5-14-10-6-13-7-11-15-16-17-18(10)11/h1-4,6-7,14H,5H2
InChIKeyJAADWBDVPNEFFH-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.78
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine

N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 60981108) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID60981108
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC NameN-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESClc1ccc(CNc2cncc3nnnn23)cc1
InChIInChI=1S/C11H9ClN6/c12-9-3-1-8(2-4-9)5-14-10-6-13-7-11-15-16-17-18(10)11/h1-4,6-7,14H,5H2
InChIKeyJAADWBDVPNEFFH-UHFFFAOYSA-N
XLogP1.78
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]pyridine-2-carboxylic acid
CID 81099516
N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 60980340
N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
CID 62659503
N-[(1-methylcyclobutyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 103737000
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 114694406
N-(2-methoxyethyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 60980965
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 79033902
N-[(2-chlorocyclohexyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 65029563
N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 103970438
N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 115637457
2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine
CID 106116411
N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 104925611

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine (CID 60981108) is N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine is Clc1ccc(CNc2cncc3nnnn23)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is JAADWBDVPNEFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-9-3-1-8(2-4-9)5-14-10-6-13-7-11-15-16-17-18(10)11/h1-4,6-7,14H,5H2.
What are the key properties of N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 260.69 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 60981108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).