N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine

C12H18N6 — CID 4725568

IUPACN-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine
SMILESCCN(CC)c1ccc(CNc2nn[nH]n2)cc1
InChIInChI=1S/C12H18N6/c1-3-18(4-2)11-7-5-10(6-8-11)9-13-12-14-16-17-15-12/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyDRQJKCGCLFBEFL-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.66
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine

N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 4725568) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine
PubChem CID4725568
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine
SMILESCCN(CC)c1ccc(CNc2nn[nH]n2)cc1
InChIInChI=1S/C12H18N6/c1-3-18(4-2)11-7-5-10(6-8-11)9-13-12-14-16-17-15-12/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyDRQJKCGCLFBEFL-UHFFFAOYSA-N
XLogP1.66
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine (CID 4725568) is N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine is CCN(CC)c1ccc(CNc2nn[nH]n2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is DRQJKCGCLFBEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-18(4-2)11-7-5-10(6-8-11)9-13-12-14-16-17-15-12/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine?
N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 246.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4725568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).