N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine

C13H20N6 — CID 4725596

IUPACN-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine
SMILESCCN(CC)c1ccc(CNc2nnnn2C)cc1
InChIInChI=1S/C13H20N6/c1-4-19(5-2)12-8-6-11(7-9-12)10-14-13-15-16-17-18(13)3/h6-9H,4-5,10H2,1-3H3,(H,14,15,17)
InChIKeyCTSAXBZFDVQFTN-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.67
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine

N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine (PubChem CID 4725596) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine
PubChem CID4725596
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine
SMILESCCN(CC)c1ccc(CNc2nnnn2C)cc1
InChIInChI=1S/C13H20N6/c1-4-19(5-2)12-8-6-11(7-9-12)10-14-13-15-16-17-18(13)3/h6-9H,4-5,10H2,1-3H3,(H,14,15,17)
InChIKeyCTSAXBZFDVQFTN-UHFFFAOYSA-N
XLogP1.67
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
CID 892578
1-(4-Aminobenzyl)-1,2,4-triazole
CID 821219
N-[4-(diethylamino)benzyl]-1-propyl-1H-tetrazol-5-amine
CID 834702
N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline
CID 4265201
5-N-benzyl-1-phenyl-1,2,4-triazole-3,5-diamine
CID 8073490
1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanamine
CID 4962205
1-ethyl-N-[4-(pyrrolidin-1-yl)benzyl]-1H-tetrazol-5-amine
CID 834537
1-propyl-N-[4-(pyrrolidin-1-yl)benzyl]-1H-tetrazol-5-amine
CID 834708
N-{4-[(4-methylbenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine
CID 851516
1-butyl-N-[4-(diethylamino)benzyl]-1H-tetrazol-5-amine
CID 1817984
1-phenyl-N-(2-phenylethyl)tetrazol-5-amine
CID 2499895
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-tetrazolamine
CID 2547390

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine (CID 4725596) is N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine is CCN(CC)c1ccc(CNc2nnnn2C)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine?
The InChIKey is CTSAXBZFDVQFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-19(5-2)12-8-6-11(7-9-12)10-14-13-15-16-17-18(13)3/h6-9H,4-5,10H2,1-3H3,(H,14,15,17).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine?
N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine has a molecular weight of 260.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4725596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).