N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline

C12H15N5O — CID 43201828

IUPACN-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline
SMILESc1cc(-n2cnnn2)ccc1NCC1CCOC1
InChIInChI=1S/C12H15N5O/c1-3-12(17-9-14-15-16-17)4-2-11(1)13-7-10-5-6-18-8-10/h1-4,9-10,13H,5-8H2
InChIKeyGGHUWBZBTAZIHU-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.11
Rot. Bonds4

About N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline

N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline (PubChem CID 43201828) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline
PubChem CID43201828
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline
SMILESc1cc(-n2cnnn2)ccc1NCC1CCOC1
InChIInChI=1S/C12H15N5O/c1-3-12(17-9-14-15-16-17)4-2-11(1)13-7-10-5-6-18-8-10/h1-4,9-10,13H,5-8H2
InChIKeyGGHUWBZBTAZIHU-UHFFFAOYSA-N
XLogP1.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62384673
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
N-(oxolan-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47184942
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084
N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 93422505
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline
CID 43747336
N-cyclopropyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43687551
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093
N-(oxolan-3-ylmethyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689591
4-(1H-imidazol-5-yl)-N-(oxolan-3-ylmethyl)aniline
CID 43722486

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline (CID 43201828) is N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline is c1cc(-n2cnnn2)ccc1NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline?
The InChIKey is GGHUWBZBTAZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-12(17-9-14-15-16-17)4-2-11(1)13-7-10-5-6-18-8-10/h1-4,9-10,13H,5-8H2.
What are the key properties of N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline?
N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline has a molecular weight of 245.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43201828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).