N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline

C12H15N9 — CID 21330973

IUPACN,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESc1ccc(N(CCc2nn[nH]n2)CCc2nn[nH]n2)cc1
InChIInChI=1S/C12H15N9/c1-2-4-10(5-3-1)21(8-6-11-13-17-18-14-11)9-7-12-15-19-20-16-12/h1-5H,6-9H2,(H,13,14,17,18)(H,15,16,19,20)
InChIKeyBGXYRZZPXVPEPT-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.00
Rot. Bonds7

About N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline

N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline (PubChem CID 21330973) has the molecular formula C12H15N9 and a molecular weight of 285.31 g/mol. Its IUPAC name is N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound NameN,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline
PubChem CID21330973
Molecular FormulaC12H15N9
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC NameN,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESc1ccc(N(CCc2nn[nH]n2)CCc2nn[nH]n2)cc1
InChIInChI=1S/C12H15N9/c1-2-4-10(5-3-1)21(8-6-11-13-17-18-14-11)9-7-12-15-19-20-16-12/h1-5H,6-9H2,(H,13,14,17,18)(H,15,16,19,20)
InChIKeyBGXYRZZPXVPEPT-UHFFFAOYSA-N
XLogP0.00
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Zolertine
CID 23669
1H-Tetrazole-5-ethanamine, N-phenyl-
CID 3041345
Zolertine Hydrochloride
CID 9817619
N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191162
N-octyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191163
N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191164
N-dodecyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191165
1-(4-fluorophenyl)-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine
CID 85782346
4-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
CID 61367794
2-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
CID 61367795
3-fluoro-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
CID 61368372
N-methyl-N-phenyl-4-(2H-tetrazol-5-yl)butanethioamide
CID 54141515

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline?
The IUPAC name of N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline (CID 21330973) is N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline?
The canonical SMILES for N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline is c1ccc(N(CCc2nn[nH]n2)CCc2nn[nH]n2)cc1.
What is the InChIKey of N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline?
The InChIKey is BGXYRZZPXVPEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N9/c1-2-4-10(5-3-1)21(8-6-11-13-17-18-14-11)9-7-12-15-19-20-16-12/h1-5H,6-9H2,(H,13,14,17,18)(H,15,16,19,20).
What are the key properties of N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline?
N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline has a molecular weight of 285.31 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 21330973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).