N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C10H13N5O — CID 115466452

IUPACN-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NCc1nn[nH]n1
InChIInChI=1S/C10H13N5O/c1-2-8(7-4-5-16-9(7)3-1)11-6-10-12-14-15-13-10/h4-5,8,11H,1-3,6H2,(H,12,13,14,15)
InChIKeyQVPJHGPLPQFFST-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.96
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466452) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466452
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NCc1nn[nH]n1
InChIInChI=1S/C10H13N5O/c1-2-8(7-4-5-16-9(7)3-1)11-6-10-12-14-15-13-10/h4-5,8,11H,1-3,6H2,(H,12,13,14,15)
InChIKeyQVPJHGPLPQFFST-UHFFFAOYSA-N
XLogP0.96
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 79969251
N-(1,2-oxazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106415750
N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208228
4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 43208224
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466013
N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646
N-[(2,3-dimethylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 54941936
N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103398651
N-(1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 60761723
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64541204
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341
N-[(1-methylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 66399566

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466452) is N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1cc2c(o1)CCCC2NCc1nn[nH]n1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is QVPJHGPLPQFFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-8(7-4-5-16-9(7)3-1)11-6-10-12-14-15-13-10/h4-5,8,11H,1-3,6H2,(H,12,13,14,15).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 219.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).