N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine

C14H21N5 — CID 66451540

IUPACN-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(-n2ccnc2CCC)n1
InChIInChI=1S/C14H21N5/c1-3-5-13-17-7-8-19(13)14-11-16-10-12(18-14)9-15-6-4-2/h7-8,10-11,15H,3-6,9H2,1-2H3
InChIKeySLFLHONZYSYPHE-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.11
Rot. Bonds7

About N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine

N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66451540) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID66451540
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(-n2ccnc2CCC)n1
InChIInChI=1S/C14H21N5/c1-3-5-13-17-7-8-19(13)14-11-16-10-12(18-14)9-15-6-4-2/h7-8,10-11,15H,3-6,9H2,1-2H3
InChIKeySLFLHONZYSYPHE-UHFFFAOYSA-N
XLogP2.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66458129
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyrazin-2-amine
CID 66451087
N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406336
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
CID 66451855
N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66451089
N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 66457427
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 102886778
[4-(2-propylimidazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80903504
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine
CID 107380056
5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine
CID 114011755
N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773514

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine (CID 66451540) is N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cncc(-n2ccnc2CCC)n1.
What is the InChIKey of N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is SLFLHONZYSYPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-5-13-17-7-8-19(13)14-11-16-10-12(18-14)9-15-6-4-2/h7-8,10-11,15H,3-6,9H2,1-2H3.
What are the key properties of N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66451540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).