1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine

C14H20N10 — CID 3620004

IUPAC1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnnn1-c1cccc(-n2nnnc2CN(C)C)c1
InChIInChI=1S/C14H20N10/c1-21(2)9-13-15-17-19-23(13)11-6-5-7-12(8-11)24-14(10-22(3)4)16-18-20-24/h5-8H,9-10H2,1-4H3
InChIKeyQIZHMVVUOHXACW-UHFFFAOYSA-N
MW328.38 g/mol
LogP-0.24
Rot. Bonds6

About 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine

1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 3620004) has the molecular formula C14H20N10 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine
PubChem CID3620004
Molecular FormulaC14H20N10
Molecular Weight328.38 g/mol
Exact Mass328.19
IUPAC Name1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnnn1-c1cccc(-n2nnnc2CN(C)C)c1
InChIInChI=1S/C14H20N10/c1-21(2)9-13-15-17-19-23(13)11-6-5-7-12(8-11)24-14(10-22(3)4)16-18-20-24/h5-8H,9-10H2,1-4H3
InChIKeyQIZHMVVUOHXACW-UHFFFAOYSA-N
XLogP-0.24
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

5-Methyl-1-phenyl-1H-tetrazole
CID 95204
1-Phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N,N-dimethyl-1-(1-phenyltetrazol-5-yl)methanamine
CID 3826763
(1-Phenyltetrazol-5-yl)methanamine
CID 2968625
(1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
CID 759769
1H-Tetrazole, 5-ethyl-1-phenyl-
CID 206251
1-(3-Nitrophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrobromide
CID 16192988
1-[1-(3-Nitro-phenyl)-1H-tetrazol-5-ylmethyl]-azepane
CID 3131951
1,1'-(1,3-Phenylene)bis[1H-tetrazole]
CID 676500
5-((1E)-2-pyrrolidinylvinyl)-1-phenyl-1,2,3,4-tetraazole
CID 5716478
1-(4-Iodophenyl)-5-(2-dimethylaminoethenyl)-1H-tetrazole
CID 5367729
5-(1-(Diethylamino)ethyl)-1-phenyl-1H-tetrazole hydrochloride
CID 3031895

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine (CID 3620004) is 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine is CN(C)Cc1nnnn1-c1cccc(-n2nnnc2CN(C)C)c1.
What is the InChIKey of 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is QIZHMVVUOHXACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N10/c1-21(2)9-13-15-17-19-23(13)11-6-5-7-12(8-11)24-14(10-22(3)4)16-18-20-24/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine?
1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 328.38 g/mol, XLogP of -0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 3620004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).