CID 102084661

C14H17N4O — CID 102084661

IUPAC—
SMILES[H]/N=C1\N=C(N)c2cc3c(cc21)C(C)(C)N([O])C3(C)C
InChIInChI=1S/C14H17N4O/c1-13(2)9-5-7-8(12(16)17-11(7)15)6-10(9)14(3,4)18(13)19/h5-6H,1-4H3,(H3,15,16,17)
InChIKeyCYDDHSOERSTCFW-UHFFFAOYSA-N
MW257.32 g/mol
LogP1.86
Rot. Bonds

About CID 102084661

CID 102084661 (PubChem CID 102084661) has the molecular formula C14H17N4O and a molecular weight of 257.32 g/mol.

Molecular Properties

Compound NameCID 102084661
PubChem CID102084661
Molecular FormulaC14H17N4O
Molecular Weight257.32 g/mol
Exact Mass257.14
IUPAC Name—
SMILES[H]/N=C1\N=C(N)c2cc3c(cc21)C(C)(C)N([O])C3(C)C
InChIInChI=1S/C14H17N4O/c1-13(2)9-5-7-8(12(16)17-11(7)15)6-10(9)14(3,4)18(13)19/h5-6H,1-4H3,(H3,15,16,17)
InChIKeyCYDDHSOERSTCFW-UHFFFAOYSA-N
XLogP1.86
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102084661?
The IUPAC name of CID 102084661 (CID 102084661) is not available.
What is the SMILES notation for CID 102084661?
The canonical SMILES for CID 102084661 is [H]/N=C1\N=C(N)c2cc3c(cc21)C(C)(C)N([O])C3(C)C.
What is the InChIKey of CID 102084661?
The InChIKey is CYDDHSOERSTCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N4O/c1-13(2)9-5-7-8(12(16)17-11(7)15)6-10(9)14(3,4)18(13)19/h5-6H,1-4H3,(H3,15,16,17).
What are the key properties of CID 102084661?
CID 102084661 has a molecular weight of 257.32 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102084661 is sourced from PubChem (CID 102084661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).