2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine

C15H20N4O — CID 106281899

IUPAC2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
SMILESCC(NC1CC(C)(C)Oc2ccccc21)c1ncn[nH]1
InChIInChI=1S/C15H20N4O/c1-10(14-16-9-17-19-14)18-12-8-15(2,3)20-13-7-5-4-6-11(12)13/h4-7,9-10,12,18H,8H2,1-3H3,(H,16,17,19)
InChIKeyZZGMSWSPRNMQGS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.76
Rot. Bonds3

About 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine (PubChem CID 106281899) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
PubChem CID106281899
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
SMILESCC(NC1CC(C)(C)Oc2ccccc21)c1ncn[nH]1
InChIInChI=1S/C15H20N4O/c1-10(14-16-9-17-19-14)18-12-8-15(2,3)20-13-7-5-4-6-11(12)13/h4-7,9-10,12,18H,8H2,1-3H3,(H,16,17,19)
InChIKeyZZGMSWSPRNMQGS-UHFFFAOYSA-N
XLogP2.76
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106282446
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 103905314
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488
(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol
CID 81142918
2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81140827
2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
CID 81139220
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
CID 81338296
(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 124743503
N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81137115
2,2-dimethyl-N-[(1-propan-2-yltriazol-4-yl)methyl]-3,4-dihydrochromen-4-amine
CID 126804261
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydrochromen-4-amine
CID 81139369

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine (CID 106281899) is 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine is CC(NC1CC(C)(C)Oc2ccccc21)c1ncn[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine?
The InChIKey is ZZGMSWSPRNMQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(14-16-9-17-19-14)18-12-8-15(2,3)20-13-7-5-4-6-11(12)13/h4-7,9-10,12,18H,8H2,1-3H3,(H,16,17,19).
What are the key properties of 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 106281899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).