N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine

C14H22N6 — CID 107379755

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cnc(N(C)Cc2cnn(C)c2)cn1
InChIInChI=1S/C14H22N6/c1-4-5-15-7-13-8-17-14(9-16-13)19(2)10-12-6-18-20(3)11-12/h6,8-9,11,15H,4-5,7,10H2,1-3H3
InChIKeyNLHLQPVKAJYYMP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.35
Rot. Bonds7

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine (PubChem CID 107379755) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine
PubChem CID107379755
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cnc(N(C)Cc2cnn(C)c2)cn1
InChIInChI=1S/C14H22N6/c1-4-5-15-7-13-8-17-14(9-16-13)19(2)10-12-6-18-20(3)11-12/h6,8-9,11,15H,4-5,7,10H2,1-3H3
InChIKeyNLHLQPVKAJYYMP-UHFFFAOYSA-N
XLogP1.35
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 107379754
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine
CID 107380056
N-[[6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906373
3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389581
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80799465
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 103014130
6-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 66451248
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyrazin-2-amine
CID 66451087
4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80779198
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533339
[6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-pyridinyl]methanol
CID 62254806

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine (CID 107379755) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine is CCCNCc1cnc(N(C)Cc2cnn(C)c2)cn1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine?
The InChIKey is NLHLQPVKAJYYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-4-5-15-7-13-8-17-14(9-16-13)19(2)10-12-6-18-20(3)11-12/h6,8-9,11,15H,4-5,7,10H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine has a molecular weight of 274.37 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine is sourced from PubChem (CID 107379755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).