N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine

C12H16N6 — CID 63149802

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine
SMILESCn1nnnc1N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C12H16N6/c1-17-12(14-15-16-17)18(11-6-7-11)8-9-2-4-10(13)5-3-9/h2-5,11H,6-8,13H2,1H3
InChIKeyPDPZDKDDDCQQIT-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.96
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine

N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine (PubChem CID 63149802) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine
PubChem CID63149802
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine
SMILESCn1nnnc1N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C12H16N6/c1-17-12(14-15-16-17)18(11-6-7-11)8-9-2-4-10(13)5-3-9/h2-5,11H,6-8,13H2,1H3
InChIKeyPDPZDKDDDCQQIT-UHFFFAOYSA-N
XLogP0.96
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine (CID 63149802) is N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine is Cn1nnnc1N(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine?
The InChIKey is PDPZDKDDDCQQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-17-12(14-15-16-17)18(11-6-7-11)8-9-2-4-10(13)5-3-9/h2-5,11H,6-8,13H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine?
N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine has a molecular weight of 244.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine is sourced from PubChem (CID 63149802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).