N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

C17H23N7O — CID 72885362

IUPACN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOCCCn1cnnc1C(C)Nc1ncnc2nc(C)cc(C)c12
InChIInChI=1S/C17H23N7O/c1-11-8-12(2)21-15-14(11)16(19-9-18-15)22-13(3)17-23-20-10-24(17)6-5-7-25-4/h8-10,13H,5-7H2,1-4H3,(H,18,19,21,22)
InChIKeyAALTZUJHXIDMQZ-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.44
Rot. Bonds7

About N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72885362) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID72885362
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOCCCn1cnnc1C(C)Nc1ncnc2nc(C)cc(C)c12
InChIInChI=1S/C17H23N7O/c1-11-8-12(2)21-15-14(11)16(19-9-18-15)22-13(3)17-23-20-10-24(17)6-5-7-25-4/h8-10,13H,5-7H2,1-4H3,(H,18,19,21,22)
InChIKeyAALTZUJHXIDMQZ-UHFFFAOYSA-N
XLogP2.44
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine (CID 72885362) is N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine is COCCCn1cnnc1C(C)Nc1ncnc2nc(C)cc(C)c12.
What is the InChIKey of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is AALTZUJHXIDMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11-8-12(2)21-15-14(11)16(19-9-18-15)22-13(3)17-23-20-10-24(17)6-5-7-25-4/h8-10,13H,5-7H2,1-4H3,(H,18,19,21,22).
What are the key properties of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72885362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).