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

C11H14IN5 — CID 139018458

IUPAC5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
SMILESCc1[nH]ncc1CCCNc1cnc(I)cn1
InChIInChI=1S/C11H14IN5/c1-8-9(5-16-17-8)3-2-4-13-11-7-14-10(12)6-15-11/h5-7H,2-4H2,1H3,(H,13,15)(H,16,17)
InChIKeySDTIBDHWLAWDQH-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.16
Rot. Bonds5

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

5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine (PubChem CID 139018458) has the molecular formula C11H14IN5 and a molecular weight of 343.17 g/mol. Its IUPAC name is 5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
PubChem CID139018458
Molecular FormulaC11H14IN5
Molecular Weight343.17 g/mol
Exact Mass343.03
IUPAC Name5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
SMILESCc1[nH]ncc1CCCNc1cnc(I)cn1
InChIInChI=1S/C11H14IN5/c1-8-9(5-16-17-8)3-2-4-13-11-7-14-10(12)6-15-11/h5-7H,2-4H2,1H3,(H,13,15)(H,16,17)
InChIKeySDTIBDHWLAWDQH-UHFFFAOYSA-N
XLogP2.16
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
CID 62040259
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
CID 60524007
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 66326198
4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-nitropyridin-2-amine
CID 79176492
5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine
CID 62040677
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline
CID 62648618
5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide
CID 107374698
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfanylpyrimidin-4-amine
CID 114156690
5-bromo-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 143967158
2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine
CID 62039822
4,6-dimethoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,5-triazin-2-amine
CID 62862475
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine?
The IUPAC name of 5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine (CID 139018458) is 5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine.
What is the SMILES notation for 5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine?
The canonical SMILES for 5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine is Cc1[nH]ncc1CCCNc1cnc(I)cn1.
What is the InChIKey of 5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine?
The InChIKey is SDTIBDHWLAWDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN5/c1-8-9(5-16-17-8)3-2-4-13-11-7-14-10(12)6-15-11/h5-7H,2-4H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine?
5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine has a molecular weight of 343.17 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine is sourced from PubChem (CID 139018458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).