N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine

C14H16N6 — CID 46991221

IUPACN-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCCCn1nnc2ccccc21
InChIInChI=1S/C14H16N6/c1-11-14(17-9-8-15-11)16-7-4-10-20-13-6-3-2-5-12(13)18-19-20/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,16,17)
InChIKeyCXMZIMLSNFLZLG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds5

About N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine

N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine (PubChem CID 46991221) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine
PubChem CID46991221
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCCCn1nnc2ccccc21
InChIInChI=1S/C14H16N6/c1-11-14(17-9-8-15-11)16-7-4-10-20-13-6-3-2-5-12(13)18-19-20/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,16,17)
InChIKeyCXMZIMLSNFLZLG-UHFFFAOYSA-N
XLogP2.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(3-chloropropyl)benzotriazole
CID 5243938
1-[3-(2-methylphenoxy)propyl]benzotriazole
CID 3161273
silver 1-octylbenzotriazole
CID 19818350
N-[3-(benzotriazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56903805
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
3-(benzotriazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62563385
1-tridecylbenzotriazole
CID 21059042
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
N-[2-(benzotriazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62563554
1-[3-(benzotriazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 72920930
1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
CID 6490952

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine?
The IUPAC name of N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine (CID 46991221) is N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine?
The canonical SMILES for N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine is Cc1nccnc1NCCCn1nnc2ccccc21.
What is the InChIKey of N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine?
The InChIKey is CXMZIMLSNFLZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-11-14(17-9-8-15-11)16-7-4-10-20-13-6-3-2-5-12(13)18-19-20/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,16,17).
What are the key properties of N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine?
N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 46991221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).