5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine

C14H17N5 — CID 66164696

IUPAC5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CC)nc(-c2cncn2C2CC2)c1N
InChIInChI=1S/C14H17N5/c1-3-7-18-12(4-2)17-13(14(18)15)11-8-16-9-19(11)10-5-6-10/h1,8-10H,4-7,15H2,2H3
InChIKeyZEXZJBDQLAUOHC-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.86
Rot. Bonds4

About 5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine

5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 66164696) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
PubChem CID66164696
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CC)nc(-c2cncn2C2CC2)c1N
InChIInChI=1S/C14H17N5/c1-3-7-18-12(4-2)17-13(14(18)15)11-8-16-9-19(11)10-5-6-10/h1,8-10H,4-7,15H2,2H3
InChIKeyZEXZJBDQLAUOHC-UHFFFAOYSA-N
XLogP1.86
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine (CID 66164696) is 5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(CC)nc(-c2cncn2C2CC2)c1N.
What is the InChIKey of 5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is ZEXZJBDQLAUOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-3-7-18-12(4-2)17-13(14(18)15)11-8-16-9-19(11)10-5-6-10/h1,8-10H,4-7,15H2,2H3.
What are the key properties of 5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine?
5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 255.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 66164696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).