N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine

C11H15N5 — CID 107381120

IUPACN-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2cccn2)cn1
InChIInChI=1S/C11H15N5/c1-2-4-12-7-10-8-14-11(9-13-10)16-6-3-5-15-16/h3,5-6,8-9,12H,2,4,7H2,1H3
InChIKeyMMRCFGMQWGTUFK-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.16
Rot. Bonds5

About N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine

N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine (PubChem CID 107381120) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine
PubChem CID107381120
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2cccn2)cn1
InChIInChI=1S/C11H15N5/c1-2-4-12-7-10-8-14-11(9-13-10)16-6-3-5-15-16/h3,5-6,8-9,12H,2,4,7H2,1H3
InChIKeyMMRCFGMQWGTUFK-UHFFFAOYSA-N
XLogP1.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.16
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-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]ethanamine
CID 107381116
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107381268
N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80635268
N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379246
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378847
N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380366
N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380858
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380839
N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine
CID 63377528
N-[[5-(2,2,6-trimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379635

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine (CID 107381120) is N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine is CCCNCc1cnc(-n2cccn2)cn1.
What is the InChIKey of N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is MMRCFGMQWGTUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-4-12-7-10-8-14-11(9-13-10)16-6-3-5-15-16/h3,5-6,8-9,12H,2,4,7H2,1H3.
What are the key properties of N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine?
N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 217.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107381120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).