N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine

C10H16N6 — CID 107045524

IUPACN-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(Cc2nnn(C)n2)c1
InChIInChI=1S/C10H16N6/c1-3-11-6-9-4-5-16(7-9)8-10-12-14-15(2)13-10/h4-5,7,11H,3,6,8H2,1-2H3
InChIKeyDXVVPJZZXSHRPS-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.17
Rot. Bonds5

About N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine

N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 107045524) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID107045524
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(Cc2nnn(C)n2)c1
InChIInChI=1S/C10H16N6/c1-3-11-6-9-4-5-16(7-9)8-10-12-14-15(2)13-10/h4-5,7,11H,3,6,8H2,1-2H3
InChIKeyDXVVPJZZXSHRPS-UHFFFAOYSA-N
XLogP0.17
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine
CID 107053857
2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 107045442
N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404294
N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406746
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66405511
N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041105
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405412
N-[[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405543
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
N-[[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107883316
2-[3-(ethylaminomethyl)pyrrol-1-yl]-N,N-dimethylacetamide
CID 66405923

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine (CID 107045524) is N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine is CCNCc1ccn(Cc2nnn(C)n2)c1.
What is the InChIKey of N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is DXVVPJZZXSHRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-3-11-6-9-4-5-16(7-9)8-10-12-14-15(2)13-10/h4-5,7,11H,3,6,8H2,1-2H3.
What are the key properties of N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 107045524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).