6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine

C11H14ClN5 — CID 60524007

IUPAC6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
SMILESCc1[nH]ncc1CCCNc1cncc(Cl)n1
InChIInChI=1S/C11H14ClN5/c1-8-9(5-15-17-8)3-2-4-14-11-7-13-6-10(12)16-11/h5-7H,2-4H2,1H3,(H,14,16)(H,15,17)
InChIKeyIYBOIKVOIRUEPX-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.21
Rot. Bonds5

About 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine

6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine (PubChem CID 60524007) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
PubChem CID60524007
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
SMILESCc1[nH]ncc1CCCNc1cncc(Cl)n1
InChIInChI=1S/C11H14ClN5/c1-8-9(5-15-17-8)3-2-4-14-11-7-13-6-10(12)16-11/h5-7H,2-4H2,1H3,(H,14,16)(H,15,17)
InChIKeyIYBOIKVOIRUEPX-UHFFFAOYSA-N
XLogP2.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfanylpyrimidin-4-amine
CID 114156690
5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
CID 139018458
4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine
CID 62862475
5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
CID 62040259
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 66326198
6-chloro-N-propylpyrazin-2-amine
CID 26370207
2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine
CID 62039822
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
CID 11608477
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106194823
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine (CID 60524007) is 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine is Cc1[nH]ncc1CCCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine?
The InChIKey is IYBOIKVOIRUEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-8-9(5-15-17-8)3-2-4-14-11-7-13-6-10(12)16-11/h5-7H,2-4H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine?
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine is sourced from PubChem (CID 60524007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).