1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene

C10H12N6 — CID 132524710

IUPAC1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene
SMILESCC(C)(N=[N+]=[N-])c1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C10H12N6/c1-10(2,14-16-12)9-5-3-8(4-6-9)7-13-15-11/h3-6H,7H2,1-2H3
InChIKeyZLEXNIOULILZLR-UHFFFAOYSA-N
MW216.25 g/mol
LogP4.04
Rot. Bonds4

About 1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene

1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene (PubChem CID 132524710) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene.

Molecular Properties

Compound Name1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene
PubChem CID132524710
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene
SMILESCC(C)(N=[N+]=[N-])c1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C10H12N6/c1-10(2,14-16-12)9-5-3-8(4-6-9)7-13-15-11/h3-6H,7H2,1-2H3
InChIKeyZLEXNIOULILZLR-UHFFFAOYSA-N
XLogP4.04
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[4-(azidomethyl)phenyl]-N-[(4-tert-butylphenyl)methyl]methanamine;pentafluoro-λ5-phosphane;hydrofluoride
CID 11213187
1-(azidomethyl)-4-(chloromethyl)benzene
CID 102388598
1-[4-(2-azidopropan-2-yl)phenyl]ethanone
CID 167275403
N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine
CID 53231791
(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine
CID 59667984
4-(azidomethyl)benzaldehyde
CID 57444853
2-[4-(azidomethyl)phenyl]propanal
CID 123611032
1-(azidomethyl)-4-isothiocyanatobenzene
CID 151143822
tert-butyl N-[[4-(azidomethyl)phenyl]methyl]carbamate
CID 150442768
1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene
CID 117109137
1-(azidomethyl)-4-[(1-methoxycyclopropyl)methyl]benzene
CID 117109168
1-(azidomethyl)-4-(2-methylphenyl)benzene
CID 59969178

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene?
The IUPAC name of 1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene (CID 132524710) is 1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene.
What is the SMILES notation for 1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene?
The canonical SMILES for 1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene is CC(C)(N=[N+]=[N-])c1ccc(CN=[N+]=[N-])cc1.
What is the InChIKey of 1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene?
The InChIKey is ZLEXNIOULILZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-10(2,14-16-12)9-5-3-8(4-6-9)7-13-15-11/h3-6H,7H2,1-2H3.
What are the key properties of 1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene?
1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene has a molecular weight of 216.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene is sourced from PubChem (CID 132524710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).