[1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine

C11H13N5O — CID 62736158

IUPAC[1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1C1CCOc2ccccc21
InChIInChI=1S/C11H13N5O/c12-7-11-13-14-15-16(11)9-5-6-17-10-4-2-1-3-8(9)10/h1-4,9H,5-7,12H2
InChIKeyOMXUFKQBQSHJEL-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.50
Rot. Bonds2

About [1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine

[1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine (PubChem CID 62736158) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine
PubChem CID62736158
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name[1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1C1CCOc2ccccc21
InChIInChI=1S/C11H13N5O/c12-7-11-13-14-15-16(11)9-5-6-17-10-4-2-1-3-8(9)10/h1-4,9H,5-7,12H2
InChIKeyOMXUFKQBQSHJEL-UHFFFAOYSA-N
XLogP0.50
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-4-iodo-3-methylpyrazol-5-amine
CID 55118042
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
CID 114720098
1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine
CID 62366268
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103398815
[1-(1,4-dioxepan-6-yl)tetrazol-5-yl]methanamine
CID 130686527
3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220803
6-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79274894
3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79273247
S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine
CID 57083074
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine
CID 113451475

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine (CID 62736158) is [1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine is NCc1nnnn1C1CCOc2ccccc21.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine?
The InChIKey is OMXUFKQBQSHJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-7-11-13-14-15-16(11)9-5-6-17-10-4-2-1-3-8(9)10/h1-4,9H,5-7,12H2.
What are the key properties of [1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine?
[1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine has a molecular weight of 231.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62736158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).