6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine

C10H12IN5 — CID 80868903

IUPAC6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(-n2cc(I)cn2)n1
InChIInChI=1S/C10H12IN5/c1-2-3-13-9-5-12-6-10(15-9)16-7-8(11)4-14-16/h4-7H,2-3H2,1H3,(H,13,15)
InChIKeyDEYIKNAVWQPABU-UHFFFAOYSA-N
MW329.15 g/mol
LogP2.09
Rot. Bonds4

About 6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine

6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine (PubChem CID 80868903) has the molecular formula C10H12IN5 and a molecular weight of 329.15 g/mol. Its IUPAC name is 6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine
PubChem CID80868903
Molecular FormulaC10H12IN5
Molecular Weight329.15 g/mol
Exact Mass329.01
IUPAC Name6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(-n2cc(I)cn2)n1
InChIInChI=1S/C10H12IN5/c1-2-3-13-9-5-12-6-10(15-9)16-7-8(11)4-14-16/h4-7H,2-3H2,1H3,(H,13,15)
InChIKeyDEYIKNAVWQPABU-UHFFFAOYSA-N
XLogP2.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566114
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrazin-2-amine
CID 80764263
6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine
CID 103541978
6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine
CID 80805378
N-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrazin-2-amine
CID 114541851
6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80988536
N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine
CID 80823221
1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 80767680
6-chloro-N-propylpyrazin-2-amine
CID 26370207
4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80868653
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine (CID 80868903) is 6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine is CCCNc1cncc(-n2cc(I)cn2)n1.
What is the InChIKey of 6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine?
The InChIKey is DEYIKNAVWQPABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5/c1-2-3-13-9-5-12-6-10(15-9)16-7-8(11)4-14-16/h4-7H,2-3H2,1H3,(H,13,15).
What are the key properties of 6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine?
6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine has a molecular weight of 329.15 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 80868903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).