N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine

C10H17N7 — CID 107054678

IUPACN-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnn1Cc1nnn(C)n1
InChIInChI=1S/C10H17N7/c1-3-5-11-7-9-4-6-12-17(9)8-10-13-15-16(2)14-10/h4,6,11H,3,5,7-8H2,1-2H3
InChIKeyHEBPFLYQOYFBOU-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.05
Rot. Bonds6

About N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine

N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine (PubChem CID 107054678) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
PubChem CID107054678
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnn1Cc1nnn(C)n1
InChIInChI=1S/C10H17N7/c1-3-5-11-7-9-4-6-12-17(9)8-10-13-15-16(2)14-10/h4,6,11H,3,5,7-8H2,1-2H3
InChIKeyHEBPFLYQOYFBOU-UHFFFAOYSA-N
XLogP-0.05
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 107054683
N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 107053736
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64801531
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 107067014
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107041124
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626945
4-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114556165
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
4,4,4-trifluoro-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114555990

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine (CID 107054678) is N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine is CCCNCc1ccnn1Cc1nnn(C)n1.
What is the InChIKey of N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
The InChIKey is HEBPFLYQOYFBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-3-5-11-7-9-4-6-12-17(9)8-10-13-15-16(2)14-10/h4,6,11H,3,5,7-8H2,1-2H3.
What are the key properties of N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine has a molecular weight of 235.29 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 107054678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).