N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C8H10ClN5 — CID 65030166

IUPACN-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESClCCCNc1nccn2cnnc12
InChIInChI=1S/C8H10ClN5/c9-2-1-3-10-7-8-13-12-6-14(8)5-4-11-7/h4-6H,1-3H2,(H,10,11)
InChIKeySFLNXZWEDKWNMB-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.17
Rot. Bonds4

About N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 65030166) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID65030166
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC NameN-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESClCCCNc1nccn2cnnc12
InChIInChI=1S/C8H10ClN5/c9-2-1-3-10-7-8-13-12-6-14(8)5-4-11-7/h4-6H,1-3H2,(H,10,11)
InChIKeySFLNXZWEDKWNMB-UHFFFAOYSA-N
XLogP1.17
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 104925632
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol
CID 103858577
3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol
CID 103710809
N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103710800
N-(4-chlorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 83186917
2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid
CID 80539535
N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103853777
N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245589
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103710810
2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol
CID 104858583
2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
CID 113347556
4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
CID 113245585

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 65030166) is N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is ClCCCNc1nccn2cnnc12.
What is the InChIKey of N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is SFLNXZWEDKWNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c9-2-1-3-10-7-8-13-12-6-14(8)5-4-11-7/h4-6H,1-3H2,(H,10,11).
What are the key properties of N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 211.66 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 65030166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).